#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9rub n GLN 3 N 0.00 0.00 0.00 -1.24 3.00 -1.26 -4.14 117.38 113.74 9rub n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 9rub n GLN 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 9rub n GLN 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 9rub n SER 4 N -1.99 0.00 -2.14 1.08 7.64 -1.26 -4.06 113.62 112.89 9rub n SER 4 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 9rub n SER 4 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 9rub n SER 4 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 9rub n SER 5 N 0.00 -1.28 0.00 6.43 7.64 -1.26 -2.60 113.62 122.55 9rub n SER 5 Ca 0.00 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.31 9rub n SER 5 Cb 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 9rub n SER 5 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 9rub n ARG 6 N 0.63 0.00 -0.39 1.43 0.63 -1.26 -4.56 116.66 113.14 9rub n ARG 6 Ca 0.06 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.08 9rub n ARG 6 Cb 0.18 -0.03 0.27 0.00 0.45 0.00 0.00 32.46 33.34 9rub n ARG 6 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 9rub n TYR 7 N 0.00 0.97 -3.92 -0.14 4.02 -1.07 -4.91 117.16 112.11 9rub n TYR 7 Ca 0.00 -0.57 -0.11 0.00 -0.01 0.00 0.00 57.90 57.21 9rub n TYR 7 Cb 0.00 -0.12 -0.13 0.00 -0.02 0.00 0.00 39.34 39.08 9rub n TYR 7 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 9rub s VAL 8 N -1.45 0.05 -0.37 -0.72 1.01 -1.23 -2.25 120.40 115.42 9rub s VAL 8 Ca 0.41 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.02 9rub s VAL 8 Cb 0.24 -0.13 0.31 0.00 0.00 0.00 0.00 36.38 36.80 9rub s VAL 8 CO 0.22 -0.22 1.28 -3.20 0.00 0.00 0.00 175.10 173.18 9rub n ASN 9 N 2.40 -1.64 -4.58 3.32 5.15 -0.95 -4.86 115.26 114.11 9rub n ASN 9 Ca -0.17 -2.46 -0.42 0.00 -0.60 0.00 0.00 54.58 50.93 9rub n ASN 9 Cb 0.58 1.37 -0.03 0.00 -0.53 0.00 0.00 39.78 41.17 9rub n ASN 9 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 9rub s LEU 10 N -1.36 3.41 0.00 1.20 1.43 -1.24 -0.50 118.68 121.63 9rub s LEU 10 Ca 0.22 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 9rub s LEU 10 Cb 0.28 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.42 9rub s LEU 10 CO -0.15 -1.70 0.00 0.00 0.23 0.00 0.00 176.35 174.74 9rub n ALA 11 N 9.55 0.00 -2.59 4.21 0.00 -1.26 -5.11 120.51 125.31 9rub n ALA 11 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 9rub n ALA 11 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 9rub n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 9rub s LEU 12 N 0.00 3.72 0.28 0.00 1.43 0.35 -4.99 118.68 119.46 9rub s LEU 12 Ca 0.00 0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.14 9rub s LEU 12 Cb 0.00 -3.42 -0.10 0.00 0.03 0.00 0.00 46.19 42.71 9rub s LEU 12 CO 0.00 -1.23 1.28 -0.54 0.23 0.00 0.00 176.35 176.09 9rub s LYS 13 N 4.33 4.41 0.22 1.70 1.02 -1.26 -4.87 119.74 125.29 9rub s LYS 13 Ca 0.45 2.10 -0.07 0.00 0.02 0.00 0.00 55.97 58.46 9rub s LYS 13 Cb -0.08 -3.13 0.33 0.00 -0.52 0.00 0.00 37.83 34.43 9rub s LYS 13 CO 0.30 -0.15 1.77 1.49 -0.92 0.00 0.00 175.35 177.84 9rub h GLU 14 N 4.14 0.54 0.00 1.68 4.81 -1.94 -2.66 114.58 121.16 9rub h GLU 14 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 9rub h GLU 14 Cb 1.22 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.48 9rub h GLU 14 CO 0.70 0.36 0.00 0.93 -0.73 0.00 0.00 179.01 180.27 9rub h GLU 15 N 0.56 0.00 0.09 1.92 4.39 -1.98 0.19 114.58 119.75 9rub h GLU 15 Ca 0.34 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.77 9rub h GLU 15 Cb 0.38 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.06 9rub h GLU 15 CO -0.28 0.00 -1.11 -0.44 -1.16 0.00 0.00 179.01 176.02 9rub h ASP 16 N 0.00 0.83 -0.08 1.42 3.32 -1.91 0.47 116.42 120.46 9rub h ASP 16 Ca 0.00 -0.81 -0.02 0.00 0.02 0.00 0.00 57.03 56.22 9rub h ASP 16 Cb 0.54 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 9rub h ASP 16 CO 0.00 1.55 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.97 9rub h LEU 17 N 0.21 0.17 -0.25 1.55 4.07 -1.12 -3.23 115.31 116.72 9rub h LEU 17 Ca -0.16 -0.38 -0.09 0.00 0.08 0.00 0.00 57.88 57.33 9rub h LEU 17 Cb 1.80 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 43.49 9rub h LEU 17 CO 0.21 0.51 -0.20 0.40 -1.08 0.00 0.00 178.44 178.28 9rub h ILE 18 N -0.18 1.31 -0.90 1.22 2.04 -0.54 -3.35 117.51 117.11 9rub h ILE 18 Ca 0.02 -1.34 0.13 0.00 1.00 0.00 0.00 64.86 64.67 9rub h ILE 18 Cb 0.44 1.63 -0.09 0.00 -0.74 0.00 0.00 36.82 38.06 9rub h ILE 18 CO 0.01 0.42 0.52 0.00 0.00 0.00 0.00 178.15 179.10 9rub h ALA 19 N 0.69 1.36 -0.02 1.87 0.00 -0.12 -3.30 119.26 119.74 9rub h ALA 19 Ca 0.05 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 9rub h ALA 19 Cb 0.74 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.43 9rub h ALA 19 CO 0.05 0.07 -0.73 0.78 0.00 0.00 0.00 179.25 179.42 9rub h GLY 20 N 0.80 0.60 -2.44 0.00 0.00 -1.69 -3.50 103.07 96.83 9rub h GLY 20 Ca 0.47 -1.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.67 9rub h GLY 20 CO -0.30 0.89 -0.21 0.61 0.00 0.00 0.00 176.54 177.53 9rub n GLY 21 N 1.00 0.48 0.13 4.60 0.00 -1.24 -4.99 105.19 105.17 9rub n GLY 21 Ca -0.10 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.59 9rub n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 9rub n GLU 22 N -1.88 1.91 -5.22 1.61 1.02 -1.26 -4.65 120.64 112.17 9rub n GLU 22 Ca 0.00 -0.28 -0.32 0.00 -0.02 0.00 0.00 57.16 56.55 9rub n GLU 22 Cb 0.52 -1.23 -0.16 0.00 -0.02 0.00 0.00 31.44 30.55 9rub n GLU 22 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 9rub s HIS 23 N -2.23 2.46 -0.10 -0.32 3.76 -1.26 -0.18 115.29 117.41 9rub s HIS 23 Ca 0.08 -0.62 -0.23 0.00 -0.15 0.00 0.00 55.06 54.15 9rub s HIS 23 Cb 0.12 -1.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.18 9rub s HIS 23 CO 0.54 -0.15 0.68 0.08 -0.85 0.00 0.00 174.74 175.04 9rub s VAL 24 N -0.27 5.04 -0.10 -0.90 1.01 -0.81 -4.70 120.40 119.67 9rub s VAL 24 Ca -0.00 1.37 -0.02 0.00 0.00 0.00 0.00 61.98 63.33 9rub s VAL 24 Cb -0.13 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 9rub s VAL 24 CO 0.03 0.21 -0.01 -0.76 0.00 0.00 0.00 175.10 174.57 9rub s LEU 25 N 1.11 3.48 0.01 3.92 1.02 -0.95 -1.82 118.68 125.45 9rub s LEU 25 Ca 0.35 0.08 0.04 0.00 0.02 0.00 0.00 54.13 54.62 9rub s LEU 25 Cb -0.17 -1.80 -0.01 0.00 0.02 0.00 0.00 46.19 44.23 9rub s LEU 25 CO 0.15 0.34 -0.13 0.00 0.02 0.00 0.00 176.35 176.73 9rub s ALA 27 N -0.54 2.14 0.10 0.00 0.00 -0.72 -1.46 121.76 121.27 9rub s ALA 27 Ca 0.03 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.04 9rub s ALA 27 Cb -0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 9rub s ALA 27 CO 0.00 0.12 -0.09 0.71 0.00 0.00 0.00 175.76 176.50 9rub s TYR 28 N 0.60 1.00 -0.58 0.00 2.02 -0.61 -0.22 117.35 119.56 9rub s TYR 28 Ca -0.13 -0.71 -0.02 0.00 -0.37 0.00 0.00 57.07 55.84 9rub s TYR 28 Cb -0.17 -0.55 0.15 0.00 -0.40 0.00 0.00 41.96 40.99 9rub s TYR 28 CO 0.03 -0.04 0.39 0.42 -1.57 0.00 0.00 175.55 174.79 9rub s ILE 29 N -2.70 3.55 -0.18 2.71 -1.09 0.10 -2.52 121.20 121.06 9rub s ILE 29 Ca 0.06 -2.87 0.01 0.00 -2.23 0.00 0.00 60.65 55.63 9rub s ILE 29 Cb -0.01 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.55 9rub s ILE 29 CO -0.01 -0.84 -0.20 -0.32 -1.23 0.00 0.00 174.94 172.34 9rub s MET 30 N 0.09 2.96 -0.19 2.79 1.75 -1.15 -1.63 119.30 123.92 9rub s MET 30 Ca 0.16 -0.84 -0.03 0.00 -1.25 0.00 0.00 55.69 53.73 9rub s MET 30 Cb -0.21 -2.57 -0.01 0.00 2.84 0.00 0.00 34.83 34.87 9rub s MET 30 CO -0.03 -0.22 -0.07 0.21 -0.65 0.00 0.00 175.02 174.26 9rub s LYS 31 N 1.29 3.42 0.53 4.11 2.20 -0.88 -4.76 119.74 125.65 9rub s LYS 31 Ca 0.05 -0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 54.84 9rub s LYS 31 Cb -0.13 -2.89 -0.07 0.00 -1.51 0.00 0.00 37.83 33.23 9rub s LYS 31 CO -0.13 -0.02 1.05 -2.14 -0.36 0.00 0.00 175.35 173.76 9rub s PRO 32 N 1.00 3.59 0.64 4.03 0.02 -1.26 -0.78 135.00 142.25 9rub s PRO 32 Ca -0.00 1.34 -0.15 0.00 0.02 0.00 0.00 61.00 62.20 9rub s PRO 32 Cb -0.15 -2.06 -0.01 0.00 0.02 0.00 0.00 34.50 32.30 9rub s PRO 32 CO -0.00 -0.60 1.11 0.15 -0.33 0.00 0.00 177.00 177.32 9rub s LYS 33 N -3.51 2.90 0.06 5.54 1.02 -1.26 -4.62 119.74 119.87 9rub s LYS 33 Ca 0.67 1.39 -0.31 0.00 0.02 0.00 0.00 55.97 57.74 9rub s LYS 33 Cb -0.17 -1.96 -0.06 0.00 -0.52 0.00 0.00 37.83 35.12 9rub s LYS 33 CO 0.26 -1.17 1.27 0.00 -0.92 0.00 0.00 175.35 174.79 9rub s ALA 34 N -2.30 3.47 0.00 5.17 0.00 -1.26 -2.87 121.76 123.97 9rub s ALA 34 Ca 0.67 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.54 9rub s ALA 34 Cb -0.20 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.43 9rub s ALA 34 CO 0.40 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.02 9rub n GLY 35 N 3.34 0.91 3.77 0.00 0.00 -1.26 -5.09 105.19 106.85 9rub n GLY 35 Ca 0.10 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 9rub n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 9rub s TYR 36 N -0.83 2.56 -0.85 1.61 2.02 -1.14 -5.00 117.35 115.73 9rub s TYR 36 Ca 0.00 1.32 0.01 0.00 -0.37 0.00 0.00 57.07 58.02 9rub s TYR 36 Cb 0.00 -3.83 0.24 0.00 -0.40 0.00 0.00 41.96 37.97 9rub s TYR 36 CO 0.00 -2.66 0.87 0.41 -1.57 0.00 0.00 175.55 172.60 9rub n GLY 37 N 0.61 4.47 0.34 0.71 0.00 -1.26 -4.88 105.19 105.18 9rub n GLY 37 Ca 0.05 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.41 9rub n GLY 37 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 9rub n TYR 38 N 1.72 0.00 -0.10 1.61 4.19 -1.26 -2.48 117.16 120.84 9rub n TYR 38 Ca 0.24 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.39 9rub n TYR 38 Cb 0.37 0.00 0.01 0.00 0.49 0.00 0.00 39.34 40.21 9rub n TYR 38 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 9rub h VAL 39 N 0.00 0.90 -0.66 2.97 2.07 -1.99 -1.79 116.25 117.74 9rub h VAL 39 Ca 0.00 -0.09 0.14 0.00 0.82 0.00 0.00 66.70 67.57 9rub h VAL 39 Cb 0.00 0.63 -0.12 0.00 -1.52 0.00 0.00 31.29 30.28 9rub h VAL 39 CO 0.00 0.05 -0.09 0.00 0.02 0.00 0.00 177.57 177.55 9rub h ALA 40 N 1.22 0.55 -0.36 1.67 0.00 -1.79 -1.22 119.26 119.33 9rub h ALA 40 Ca 0.15 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 9rub h ALA 40 Cb 0.13 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 9rub h ALA 40 CO -0.16 -0.42 0.15 1.15 0.00 0.00 0.00 179.25 179.97 9rub h THR 41 N 0.05 1.14 0.02 0.00 2.02 -1.62 0.38 112.91 114.90 9rub h THR 41 Ca 0.34 -0.43 -0.22 0.00 0.77 0.00 0.00 66.41 66.87 9rub h THR 41 Cb 0.54 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 9rub h THR 41 CO -0.63 0.17 -0.96 0.00 0.37 0.00 0.00 175.52 174.47 9rub h ALA 42 N 1.66 0.40 -0.12 6.16 0.00 -0.49 -1.98 119.26 124.88 9rub h ALA 42 Ca 0.13 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 9rub h ALA 42 Cb 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 9rub h ALA 42 CO -0.01 0.90 -0.12 0.00 0.00 0.00 0.00 179.25 180.02 9rub h ALA 43 N 0.83 0.18 0.00 0.00 0.00 -0.59 0.18 119.26 119.86 9rub h ALA 43 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.53 9rub h ALA 43 Cb 1.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.36 9rub h ALA 43 CO 0.15 0.03 0.00 1.58 0.00 0.00 0.00 179.25 181.02 9rub n HIS 44 N -4.61 0.02 -0.05 0.00 -0.00 0.13 -0.14 115.22 110.58 9rub n HIS 44 Ca -0.06 0.01 -0.14 0.00 -0.00 0.00 0.00 57.72 57.53 9rub n HIS 44 Cb 0.34 -0.52 -0.14 0.00 -0.00 0.00 0.00 29.99 29.67 9rub n HIS 44 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 9rub n PHE 45 N -1.52 0.68 0.03 1.57 -0.00 -0.76 -3.05 117.46 114.41 9rub n PHE 45 Ca 0.01 0.20 -0.05 0.00 -0.00 0.00 0.00 57.45 57.62 9rub n PHE 45 Cb 0.08 -1.11 0.17 0.00 -0.00 0.00 0.00 39.48 38.61 9rub n PHE 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 9rub h ALA 46 N 0.61 1.00 0.00 3.13 0.00 0.14 -2.87 119.26 121.29 9rub h ALA 46 Ca -0.43 -0.40 -0.22 0.00 0.00 0.00 0.00 54.91 53.86 9rub h ALA 46 Cb 2.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 9rub h ALA 46 CO 0.04 0.60 -1.13 0.00 0.00 0.00 0.00 179.25 178.77 9rub h ALA 47 N 1.24 0.43 -0.06 0.00 0.00 -0.65 -3.07 119.26 117.15 9rub h ALA 47 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.94 9rub h ALA 47 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 9rub h ALA 47 CO 0.06 1.31 0.00 -1.91 0.00 0.00 0.00 179.25 178.71 9rub n GLU 48 N -3.30 1.21 0.00 0.00 4.07 -1.13 -2.21 120.64 119.28 9rub n GLU 48 Ca -0.03 -0.32 0.00 0.00 -0.06 0.00 0.00 57.16 56.75 9rub n GLU 48 Cb 0.96 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 31.08 9rub n GLU 48 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 9rub n SER 49 N -0.42 1.14 0.00 4.31 7.64 -1.10 -4.63 113.62 120.57 9rub n SER 49 Ca 0.12 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.62 9rub n SER 49 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 9rub n SER 49 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 9rub n SER 50 N -0.19 0.00 0.12 6.43 3.41 -1.13 -4.65 113.62 117.60 9rub n SER 50 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 9rub n SER 50 Cb 0.19 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.16 9rub n SER 50 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 9rub h THR 51 N 0.00 0.11 0.00 6.66 2.02 -1.82 -3.50 112.91 116.39 9rub h THR 51 Ca 0.00 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.98 9rub h THR 51 Cb 0.00 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 9rub h THR 51 CO 0.00 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.56 9rub n GLY 52 N 1.20 2.16 3.43 2.16 0.00 -0.94 -4.90 105.19 108.29 9rub n GLY 52 Ca -0.01 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 9rub n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 9rub n THR 53 N 0.00 -1.72 -2.21 2.61 -1.04 -1.26 -3.31 114.28 107.36 9rub n THR 53 Ca 0.00 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.05 61.49 9rub n THR 53 Cb 0.00 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 9rub n THR 53 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 9rub n ASN 54 N -1.14 4.54 0.00 8.00 4.13 -1.26 -3.77 115.26 125.76 9rub n ASN 54 Ca -0.15 -2.93 0.00 0.00 1.68 0.00 0.00 54.58 53.18 9rub n ASN 54 Cb 0.37 -1.64 0.00 0.00 -1.54 0.00 0.00 39.78 36.98 9rub n ASN 54 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 9rub n VAL 55 N 5.03 0.00 -2.06 2.41 0.31 -1.26 -4.54 118.33 118.22 9rub n VAL 55 Ca 0.47 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.38 9rub n VAL 55 Cb 0.41 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.34 9rub n VAL 55 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 9rub n GLU 56 N 13.42 3.53 -4.65 5.55 4.07 -1.26 -4.68 120.64 136.62 9rub n GLU 56 Ca 0.00 -3.17 -0.24 0.00 -0.06 0.00 0.00 57.16 53.69 9rub n GLU 56 Cb 0.00 -2.98 -0.14 0.00 -0.06 0.00 0.00 31.44 28.25 9rub n GLU 56 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 9rub s VAL 57 N 1.10 1.46 0.12 6.31 -7.23 -1.26 -5.16 120.40 115.74 9rub s VAL 57 Ca 0.45 -1.01 -0.26 0.00 -1.81 0.00 0.00 61.98 59.36 9rub s VAL 57 Cb 0.12 -1.26 0.07 0.00 0.56 0.00 0.00 36.38 35.88 9rub s VAL 57 CO -0.04 0.23 0.98 0.00 -0.31 0.00 0.00 175.10 175.96 9rub n THR 59 N -0.44 1.12 -0.21 0.00 5.66 -1.26 -5.03 114.28 114.11 9rub n THR 59 Ca -0.07 -4.65 0.03 0.00 -3.05 0.00 0.00 64.05 56.31 9rub n THR 59 Cb 0.61 -2.04 0.07 0.00 -1.55 0.00 0.00 70.33 67.42 9rub n THR 59 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 9rub n THR 60 N 1.57 -0.25 0.12 1.09 -1.04 -1.26 -1.70 114.28 112.81 9rub n THR 60 Ca 0.25 1.33 0.20 0.00 -2.04 0.00 0.00 64.05 63.79 9rub n THR 60 Cb 0.42 -1.83 0.75 0.00 -1.82 0.00 0.00 70.33 67.85 9rub n THR 60 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 9rub h ASP 61 N 0.00 0.00 -3.81 8.00 1.82 -2.04 -3.46 116.42 116.93 9rub h ASP 61 Ca 0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 9rub h ASP 61 Cb 0.41 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.42 9rub h ASP 61 CO -0.59 0.00 0.00 -0.67 -1.61 0.00 0.00 179.24 176.37 9rub n ASP 62 N -3.62 -1.70 -1.62 2.28 2.03 -0.69 -5.10 116.55 108.13 9rub n ASP 62 Ca 0.06 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.37 9rub n ASP 62 Cb 0.60 0.95 -0.00 0.00 -0.72 0.00 0.00 41.12 41.95 9rub n ASP 62 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 9rub n PHE 63 N -0.45 -0.41 -3.01 -0.67 3.72 -1.23 -5.07 117.46 110.34 9rub n PHE 63 Ca 0.00 0.19 -0.14 0.00 -0.05 0.00 0.00 57.45 57.45 9rub n PHE 63 Cb 0.00 -1.75 -0.03 0.00 -0.94 0.00 0.00 39.48 36.76 9rub n PHE 63 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 9rub n THR 64 N 0.08 -0.48 -1.75 4.37 -1.04 -1.26 -4.85 114.28 109.35 9rub n THR 64 Ca -0.01 -2.18 0.05 0.00 -2.04 0.00 0.00 64.05 59.87 9rub n THR 64 Cb 0.01 -0.12 0.08 0.00 -1.82 0.00 0.00 70.33 68.49 9rub n THR 64 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 9rub n ARG 65 N 2.57 0.67 -1.02 -2.82 -4.01 -1.26 -4.82 116.66 105.96 9rub n ARG 65 Ca 0.21 -2.09 -0.07 0.00 -1.04 0.00 0.00 57.85 54.86 9rub n ARG 65 Cb 0.54 -0.90 0.16 0.00 -3.04 0.00 0.00 32.46 29.22 9rub n ARG 65 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 9rub n GLY 66 N -0.54 5.33 0.51 2.89 0.00 -1.26 -3.77 105.19 108.36 9rub n GLY 66 Ca 0.09 -1.60 -0.00 0.00 0.00 0.00 0.00 46.02 44.52 9rub n GLY 66 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 9rub n VAL 67 N -1.03 0.00 -3.26 1.61 0.31 -1.26 -5.05 118.33 109.65 9rub n VAL 67 Ca 0.33 -0.01 -0.39 0.00 -0.01 0.00 0.00 64.34 64.26 9rub n VAL 67 Cb 0.90 0.23 -0.07 0.00 -0.91 0.00 0.00 33.84 33.99 9rub n VAL 67 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 9rub s ASP 68 N -0.45 6.58 -0.21 4.52 1.11 -1.25 -4.62 116.67 122.35 9rub s ASP 68 Ca 0.00 0.69 -0.28 0.00 0.18 0.00 0.00 52.55 53.15 9rub s ASP 68 Cb 0.00 -2.29 0.00 0.00 1.07 0.00 0.00 42.92 41.70 9rub s ASP 68 CO -0.00 -0.15 0.97 0.00 1.18 0.00 0.00 175.17 177.16 9rub s ALA 69 N 1.49 3.63 0.48 5.23 0.00 -1.26 -4.58 121.76 126.75 9rub s ALA 69 Ca 0.24 0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 9rub s ALA 69 Cb -0.15 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 9rub s ALA 69 CO 0.10 -0.94 0.79 -0.51 0.00 0.00 0.00 175.76 175.19 9rub s LEU 70 N 2.90 3.64 -0.23 0.00 2.01 -0.04 -4.79 118.68 122.16 9rub s LEU 70 Ca 0.42 0.94 -0.05 0.00 0.01 0.00 0.00 54.13 55.45 9rub s LEU 70 Cb -0.16 -3.89 -0.02 0.00 0.01 0.00 0.00 46.19 42.14 9rub s LEU 70 CO 0.08 -0.57 -0.00 0.68 1.01 0.00 0.00 176.35 177.55 9rub s VAL 71 N -2.72 3.69 -0.42 -1.59 -7.23 -0.95 -0.63 120.40 110.55 9rub s VAL 71 Ca 0.48 -0.38 0.09 0.00 -1.81 0.00 0.00 61.98 60.35 9rub s VAL 71 Cb -0.10 -2.70 -0.10 0.00 0.56 0.00 0.00 36.38 34.04 9rub s VAL 71 CO 0.44 0.40 0.38 0.00 -0.31 0.00 0.00 175.10 176.00 9rub n TYR 72 N 4.83 0.00 -3.63 2.82 4.11 -1.14 -2.24 117.16 121.92 9rub n TYR 72 Ca -0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.61 9rub n TYR 72 Cb 0.51 -0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.78 9rub n TYR 72 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 9rub s GLU 73 N -1.85 0.66 0.15 -3.48 2.12 -1.24 -4.47 118.70 110.58 9rub s GLU 73 Ca 0.03 0.71 -0.04 0.00 0.36 0.00 0.00 54.97 56.03 9rub s GLU 73 Cb 0.07 0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.75 9rub s GLU 73 CO 0.37 -0.09 0.16 0.14 -0.54 0.00 0.00 175.26 175.29 9rub s VAL 74 N 0.15 0.08 -0.29 3.70 -7.23 -1.20 -1.06 120.40 114.55 9rub s VAL 74 Ca 0.01 -1.69 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 9rub s VAL 74 Cb -0.05 -1.97 0.19 0.00 0.56 0.00 0.00 36.38 35.11 9rub s VAL 74 CO -0.02 -0.38 0.55 -0.62 -0.31 0.00 0.00 175.10 174.32 9rub s ASP 75 N -3.02 -1.21 0.10 4.85 -1.08 -1.16 -4.93 116.67 110.23 9rub s ASP 75 Ca 0.22 0.17 -0.22 0.00 -0.52 0.00 0.00 52.55 52.20 9rub s ASP 75 Cb 0.06 1.87 -0.11 0.00 -1.46 0.00 0.00 42.92 43.28 9rub s ASP 75 CO 0.01 -0.30 1.73 -0.08 0.52 0.00 0.00 175.17 177.05 9rub h GLU 76 N 8.03 0.00 -0.15 4.34 4.81 -1.96 -0.84 114.58 128.81 9rub h GLU 76 Ca -0.05 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 9rub h GLU 76 Cb 1.17 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 9rub h GLU 76 CO 0.19 0.00 0.02 0.00 -0.73 0.00 0.00 179.01 178.49 9rub h ALA 77 N 1.07 0.14 -0.00 2.92 0.00 -2.00 -2.77 119.26 118.63 9rub h ALA 77 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 9rub h ALA 77 Cb 0.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 9rub h ALA 77 CO -0.07 -0.42 -0.03 2.89 0.00 0.00 0.00 179.25 181.62 9rub n ARG 78 N -5.10 0.71 -3.41 0.00 1.85 -1.20 -4.92 116.66 104.58 9rub n ARG 78 Ca -0.04 -0.09 -0.21 0.00 -1.00 0.00 0.00 57.85 56.51 9rub n ARG 78 Cb 0.08 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.06 9rub n ARG 78 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 9rub n GLU 79 N -1.06 -6.77 -3.46 2.89 1.02 -0.42 -4.96 120.64 107.88 9rub n GLU 79 Ca 0.17 0.74 -0.43 0.00 -0.02 0.00 0.00 57.16 57.62 9rub n GLU 79 Cb 0.21 -5.48 -0.09 0.00 -0.02 0.00 0.00 31.44 26.07 9rub n GLU 79 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 9rub s LEU 80 N -6.50 5.40 -0.27 -4.62 2.96 -0.60 -2.92 118.68 112.13 9rub s LEU 80 Ca 0.49 -1.30 -0.10 0.00 -0.22 0.00 0.00 54.13 53.00 9rub s LEU 80 Cb -0.22 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 9rub s LEU 80 CO 0.61 -0.58 0.16 -0.89 -1.32 0.00 0.00 176.35 174.33 9rub s THR 81 N 1.59 5.10 -0.07 3.68 2.01 -1.05 -2.97 115.64 123.93 9rub s THR 81 Ca 0.04 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.19 9rub s THR 81 Cb -0.23 -3.42 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 9rub s THR 81 CO 0.06 0.28 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.49 9rub s LYS 82 N 1.64 2.66 -0.00 4.92 1.02 -0.22 -1.57 119.74 128.19 9rub s LYS 82 Ca 0.07 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 55.24 9rub s LYS 82 Cb -0.16 -2.17 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 9rub s LYS 82 CO 0.09 0.30 -0.17 0.42 -0.92 0.00 0.00 175.35 175.07 9rub s ILE 83 N 0.02 1.34 -0.38 2.17 1.01 -0.53 -2.87 121.20 121.95 9rub s ILE 83 Ca -0.09 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.64 9rub s ILE 83 Cb -0.15 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.21 9rub s ILE 83 CO 0.05 0.32 0.25 0.00 0.00 0.00 0.00 174.94 175.56 9rub s ALA 84 N -0.48 3.38 -0.50 9.38 0.00 0.20 -1.62 121.76 132.13 9rub s ALA 84 Ca 0.06 -1.68 -0.17 0.00 0.00 0.00 0.00 51.96 50.17 9rub s ALA 84 Cb -0.07 -2.72 0.07 0.00 0.00 0.00 0.00 23.12 20.40 9rub s ALA 84 CO -0.00 -1.37 0.52 0.71 0.00 0.00 0.00 175.76 175.62 9rub s TYR 85 N 1.62 3.14 0.93 0.00 1.51 -0.76 -0.86 117.35 122.94 9rub s TYR 85 Ca 0.04 -0.77 -0.14 0.00 -1.01 0.00 0.00 57.07 55.19 9rub s TYR 85 Cb -0.19 -3.40 -0.01 0.00 -0.11 0.00 0.00 41.96 38.26 9rub s TYR 85 CO 0.08 -0.93 0.19 -2.30 -1.11 0.00 0.00 175.55 171.48 9rub n PRO 86 N 5.69 -0.16 0.04 -1.71 -0.02 -1.26 -1.92 135.00 135.66 9rub n PRO 86 Ca -0.10 -0.01 -0.07 0.00 -2.02 0.00 0.00 63.50 61.31 9rub n PRO 86 Cb 0.44 -1.69 -0.12 0.00 -0.02 0.00 0.00 33.50 32.12 9rub n PRO 86 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 9rub h VAL 87 N -1.29 1.31 -0.83 -1.45 2.07 -0.94 -3.35 116.25 111.77 9rub h VAL 87 Ca -0.44 -3.04 0.10 0.00 0.82 0.00 0.00 66.70 64.14 9rub h VAL 87 Cb 1.30 2.64 -0.06 0.00 -1.52 0.00 0.00 31.29 33.65 9rub h VAL 87 CO 0.33 0.75 0.54 0.00 0.02 0.00 0.00 177.57 179.21 9rub h ALA 88 N 1.05 1.72 -0.84 1.67 0.00 -1.90 -1.86 119.26 119.09 9rub h ALA 88 Ca -0.11 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.98 9rub h ALA 88 Cb 1.82 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 9rub h ALA 88 CO 0.10 0.11 0.57 -0.07 0.00 0.00 0.00 179.25 179.96 9rub h LEU 89 N 0.78 0.35 -9.49 0.00 4.07 -1.91 -3.44 115.31 105.67 9rub h LEU 89 Ca 0.39 0.03 -0.53 0.00 0.08 0.00 0.00 57.88 57.84 9rub h LEU 89 Cb 0.44 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.16 9rub h LEU 89 CO -0.16 0.15 0.67 -0.36 -1.08 0.00 0.00 178.44 177.67 9rub s PHE 90 N -5.37 3.27 0.08 1.13 0.08 -0.70 -4.97 117.98 111.51 9rub s PHE 90 Ca -0.08 1.09 -0.31 0.00 0.12 0.00 0.00 56.93 57.75 9rub s PHE 90 Cb 0.22 -3.56 -0.08 0.00 -0.57 0.00 0.00 43.02 39.02 9rub s PHE 90 CO 0.78 -1.90 1.60 0.34 -0.10 0.00 0.00 175.22 175.94 9rub s ASP 91 N 1.19 6.64 0.02 1.36 -1.08 -1.26 -5.02 116.67 118.52 9rub s ASP 91 Ca 0.62 2.46 0.00 0.00 -0.52 0.00 0.00 52.55 55.11 9rub s ASP 91 Cb -0.33 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.56 9rub s ASP 91 CO 0.29 -0.85 0.00 0.54 0.52 0.00 0.00 175.17 175.67 9rub n ARG 92 N 5.24 2.24 -5.10 4.34 5.12 -1.26 -3.59 116.66 123.65 9rub n ARG 92 Ca 0.15 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.77 9rub n ARG 92 Cb 0.41 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.54 9rub n ARG 92 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 9rub s ASN 93 N -1.00 2.78 0.62 0.55 0.02 -0.55 -4.88 114.94 112.48 9rub s ASN 93 Ca 0.00 -0.48 0.40 0.00 -1.02 0.00 0.00 52.86 51.76 9rub s ASN 93 Cb 0.00 -1.03 2.02 0.00 0.02 0.00 0.00 41.25 42.27 9rub s ASN 93 CO 0.00 0.17 2.23 0.16 0.02 0.00 0.00 177.10 179.68 9rub h ILE 94 N 5.46 0.01 0.00 0.60 -0.00 -1.97 -3.08 117.51 118.54 9rub h ILE 94 Ca -0.27 -0.20 -0.25 0.00 -0.00 0.00 0.00 64.86 64.14 9rub h ILE 94 Cb 1.20 1.20 -0.05 0.00 -0.00 0.00 0.00 36.82 39.17 9rub h ILE 94 CO 0.47 0.00 -2.23 0.35 -0.00 0.00 0.00 178.15 176.75 9rub n THR 95 N -3.10 0.96 -0.01 0.16 -2.24 -1.26 -4.91 114.28 103.88 9rub n THR 95 Ca -0.02 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 9rub n THR 95 Cb 0.16 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 9rub n THR 95 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 9rub n ASP 96 N -2.61 0.00 0.00 3.42 5.68 -1.20 -5.04 116.55 116.80 9rub n ASP 96 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.06 9rub n ASP 96 Cb 0.97 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 9rub n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 9rub n GLY 97 N 0.00 0.47 3.78 6.12 0.00 -1.17 -5.05 105.19 109.35 9rub n GLY 97 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 9rub n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 9rub s LYS 98 N -0.73 3.15 0.35 1.61 1.02 -1.26 -4.37 119.74 119.51 9rub s LYS 98 Ca 0.00 1.36 -0.06 0.00 0.02 0.00 0.00 55.97 57.29 9rub s LYS 98 Cb 0.00 -2.00 0.08 0.00 -0.52 0.00 0.00 37.83 35.39 9rub s LYS 98 CO 0.00 -0.97 0.48 0.00 -0.92 0.00 0.00 175.35 173.94 9rub n ALA 99 N -1.99 -0.52 -3.12 5.17 0.00 -1.25 -1.49 120.51 117.32 9rub n ALA 99 Ca 0.10 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 9rub n ALA 99 Cb 0.52 -0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 9rub n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 9rub s MET 100 N -4.01 0.36 0.26 0.00 0.23 -1.24 -4.69 119.30 110.21 9rub s MET 100 Ca 0.27 0.09 0.03 0.00 -1.03 0.00 0.00 55.69 55.06 9rub s MET 100 Cb -0.01 0.16 0.34 0.00 -1.53 0.00 0.00 34.83 33.80 9rub s MET 100 CO 0.19 -0.07 1.64 0.97 -2.03 0.00 0.00 175.02 175.73 9rub h ILE 101 N 4.57 1.32 -0.89 3.16 6.09 -1.97 -2.93 117.51 126.85 9rub h ILE 101 Ca -0.27 -1.60 0.13 0.00 -1.37 0.00 0.00 64.86 61.75 9rub h ILE 101 Cb 1.19 1.68 -0.09 0.00 0.47 0.00 0.00 36.82 40.08 9rub h ILE 101 CO 0.38 0.49 0.50 0.00 -3.07 0.00 0.00 178.15 176.45 9rub h ALA 102 N 1.25 1.34 0.52 0.18 0.00 -1.96 0.52 119.26 121.12 9rub h ALA 102 Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 9rub h ALA 102 Cb 0.89 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.60 9rub h ALA 102 CO 0.07 0.02 -0.25 1.03 0.00 0.00 0.00 179.25 180.12 9rub h SER 103 N 0.75 -0.60 -0.72 0.00 0.87 -1.90 0.56 113.55 112.52 9rub h SER 103 Ca 0.47 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 61.11 9rub h SER 103 Cb 0.59 0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 62.61 9rub h SER 103 CO -0.32 -0.33 -0.42 0.33 -0.53 0.00 0.00 176.83 175.55 9rub n PHE 104 N -4.40 -0.32 -0.25 2.24 7.35 -1.07 0.14 117.46 121.16 9rub n PHE 104 Ca -0.09 0.90 0.02 0.00 -0.76 0.00 0.00 57.45 57.52 9rub n PHE 104 Cb 0.28 -0.55 0.25 0.00 0.35 0.00 0.00 39.48 39.81 9rub n PHE 104 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 9rub h LEU 105 N 0.00 0.87 -0.22 -2.13 5.85 0.05 -2.79 115.31 116.94 9rub h LEU 105 Ca 0.11 -0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.61 9rub h LEU 105 Cb 0.29 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 9rub h LEU 105 CO -0.67 0.60 -0.90 0.74 -0.34 0.00 0.00 178.44 177.86 9rub h THR 106 N 1.01 1.41 0.00 1.05 2.02 0.67 -1.77 112.91 117.30 9rub h THR 106 Ca 0.33 -2.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.05 9rub h THR 106 Cb 0.04 2.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.83 9rub h THR 106 CO -0.10 0.73 -0.07 -0.07 0.37 0.00 0.00 175.52 176.38 9rub h LEU 107 N 0.21 0.00 0.00 2.58 3.38 -0.76 -3.25 115.31 117.48 9rub h LEU 107 Ca -0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 9rub h LEU 107 Cb 1.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 9rub h LEU 107 CO 0.15 0.07 -1.11 0.35 0.09 0.00 0.00 178.44 177.99 9rub n THR 108 N -3.34 0.29 -0.07 0.22 -2.24 -1.07 -4.64 114.28 103.43 9rub n THR 108 Ca -0.01 -0.01 0.02 0.00 -2.27 0.00 0.00 64.05 61.77 9rub n THR 108 Cb 0.24 -1.56 0.21 0.00 -2.10 0.00 0.00 70.33 67.12 9rub n THR 108 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 9rub n MET 109 N -3.20 2.98 0.00 -0.78 2.81 -0.67 -4.80 117.12 113.47 9rub n MET 109 Ca -0.07 -1.74 0.00 0.00 -1.81 0.00 0.00 57.70 54.09 9rub n MET 109 Cb 0.51 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 9rub n MET 109 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 9rub n GLY 110 N 0.25 0.48 0.10 3.03 0.00 -1.23 -4.81 105.19 103.01 9rub n GLY 110 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.14 9rub n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 9rub n ASN 111 N 0.00 0.18 0.08 1.61 3.02 -1.26 -2.14 115.26 116.75 9rub n ASN 111 Ca 0.00 -1.84 0.12 0.00 -0.03 0.00 0.00 54.58 52.83 9rub n ASN 111 Cb 0.00 -0.09 0.18 0.00 -0.61 0.00 0.00 39.78 39.26 9rub n ASN 111 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 9rub h ASN 112 N 0.02 0.00 -2.93 6.41 7.08 -1.87 -3.15 115.58 121.14 9rub h ASN 112 Ca 0.00 -0.15 -0.80 0.00 -3.08 0.00 0.00 56.30 52.27 9rub h ASN 112 Cb 0.09 0.00 -0.27 0.00 -2.08 0.00 0.00 38.32 36.06 9rub h ASN 112 CO 0.00 0.08 0.82 0.00 -2.08 0.00 0.00 177.43 176.24 9rub n GLN 113 N -2.25 4.20 0.00 4.14 1.13 -0.91 -3.76 117.38 119.94 9rub n GLN 113 Ca 0.03 -4.45 0.00 0.00 -1.94 0.00 0.00 57.00 50.64 9rub n GLN 113 Cb 0.46 -2.56 0.00 0.00 0.11 0.00 0.00 30.24 28.25 9rub n GLN 113 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 9rub n GLY 114 N 1.77 1.14 3.02 1.08 0.00 -1.26 -5.04 105.19 105.90 9rub n GLY 114 Ca 0.27 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.83 9rub n GLY 114 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 9rub n MET 115 N 0.00 0.00 0.04 1.61 0.00 -1.19 -4.85 117.12 112.73 9rub n MET 115 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.70 57.81 9rub n MET 115 Cb 0.00 -1.05 0.46 0.00 0.00 0.00 0.00 33.22 32.63 9rub n MET 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 9rub n GLY 116 N 1.58 -1.33 1.79 -5.12 0.00 -1.26 -3.90 105.19 96.94 9rub n GLY 116 Ca 0.17 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 9rub n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 9rub n ASP 117 N -1.74 4.48 -3.66 1.61 5.75 -1.26 -4.95 116.55 116.77 9rub n ASP 117 Ca 0.05 -3.78 -0.08 0.00 -0.01 0.00 0.00 54.79 50.97 9rub n ASP 117 Cb 0.28 -0.41 -0.09 0.00 -1.03 0.00 0.00 41.12 39.87 9rub n ASP 117 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 9rub s VAL 118 N -4.36 -0.53 -0.16 2.12 1.01 -1.25 -4.26 120.40 112.97 9rub s VAL 118 Ca 0.49 0.14 0.16 0.00 0.00 0.00 0.00 61.98 62.77 9rub s VAL 118 Cb 0.41 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 36.10 9rub s VAL 118 CO 0.02 0.06 1.23 -0.08 0.00 0.00 0.00 175.10 176.32 9rub h GLU 119 N 7.91 0.00 -1.24 2.72 4.57 -1.21 -3.45 114.58 123.87 9rub h GLU 119 Ca -0.21 0.00 0.24 0.00 -1.18 0.00 0.00 59.36 58.22 9rub h GLU 119 Cb 1.13 0.00 -0.23 0.00 -0.16 0.00 0.00 28.75 29.49 9rub h GLU 119 CO 0.15 0.38 0.87 1.52 -1.18 0.00 0.00 179.01 180.76 9rub s TYR 120 N -2.98 -0.10 -0.24 0.92 -0.85 -1.23 -5.02 117.35 107.85 9rub s TYR 120 Ca 0.02 0.12 -0.10 0.00 -0.52 0.00 0.00 57.07 56.59 9rub s TYR 120 Cb 0.08 0.50 0.10 0.00 0.38 0.00 0.00 41.96 43.02 9rub s TYR 120 CO 0.77 -0.12 0.54 0.00 -1.52 0.00 0.00 175.55 175.22 9rub s ALA 121 N -1.65 -1.58 -0.06 9.51 0.00 -1.24 -2.07 121.76 124.68 9rub s ALA 121 Ca 0.08 1.96 0.04 0.00 0.00 0.00 0.00 51.96 54.04 9rub s ALA 121 Cb -0.01 -1.46 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 9rub s ALA 121 CO -0.05 -0.71 -0.19 0.21 0.00 0.00 0.00 175.76 175.03 9rub s LYS 122 N 2.43 2.11 0.06 0.00 2.20 -0.65 -3.03 119.74 122.85 9rub s LYS 122 Ca -0.05 -0.67 -0.26 0.00 -0.36 0.00 0.00 55.97 54.62 9rub s LYS 122 Cb -0.11 -1.75 -0.05 0.00 -1.51 0.00 0.00 37.83 34.41 9rub s LYS 122 CO -0.16 0.22 0.83 1.41 -0.36 0.00 0.00 175.35 177.29 9rub s MET 123 N 0.15 4.55 -0.18 4.03 -2.45 0.26 0.02 119.30 125.69 9rub s MET 123 Ca -0.08 1.18 -0.05 0.00 -1.25 0.00 0.00 55.69 55.49 9rub s MET 123 Cb -0.14 -3.37 -0.09 0.00 1.25 0.00 0.00 34.83 32.48 9rub s MET 123 CO 0.04 0.24 -0.20 0.72 1.05 0.00 0.00 175.02 176.87 9rub n HIS 124 N 2.88 0.00 -3.98 4.11 8.25 0.69 -2.71 115.22 124.47 9rub n HIS 124 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 9rub n HIS 124 Cb 0.50 -0.65 -0.05 0.00 1.12 0.00 0.00 29.99 30.91 9rub n HIS 124 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 9rub s ASP 125 N -6.25 -0.06 -0.06 0.41 2.15 -1.17 -4.53 116.67 107.16 9rub s ASP 125 Ca -0.24 -0.92 -0.08 0.00 0.43 0.00 0.00 52.55 51.73 9rub s ASP 125 Cb 0.08 0.62 0.02 0.00 -0.30 0.00 0.00 42.92 43.34 9rub s ASP 125 CO 0.35 -1.20 0.21 0.72 -0.17 0.00 0.00 175.17 175.08 9rub s PHE 126 N -3.90 -0.18 -0.23 -5.34 -0.71 -1.26 -1.76 117.98 104.60 9rub s PHE 126 Ca 0.21 0.43 -0.10 0.00 -1.04 0.00 0.00 56.93 56.44 9rub s PHE 126 Cb -0.02 0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.81 9rub s PHE 126 CO 0.09 -0.16 0.13 -0.47 -1.34 0.00 0.00 175.22 173.48 9rub s TYR 127 N -0.22 3.28 -0.54 3.49 5.04 0.32 -4.92 117.35 123.79 9rub s TYR 127 Ca -0.03 0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.78 9rub s TYR 127 Cb -0.03 -2.23 0.16 0.00 0.35 0.00 0.00 41.96 40.21 9rub s TYR 127 CO 0.01 0.05 0.36 0.14 -1.34 0.00 0.00 175.55 174.77 9rub s VAL 128 N 0.96 1.88 0.29 3.14 -7.23 -1.26 -2.24 120.40 115.94 9rub s VAL 128 Ca 0.07 -3.33 -0.08 0.00 -1.81 0.00 0.00 61.98 56.83 9rub s VAL 128 Cb -0.13 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 9rub s VAL 128 CO 0.03 -1.00 -0.45 -0.81 -0.31 0.00 0.00 175.10 172.56 9rub n PRO 129 N 2.74 0.00 0.23 4.82 -0.04 -1.26 -3.47 135.00 138.02 9rub n PRO 129 Ca 0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 9rub n PRO 129 Cb 0.37 -0.29 0.50 0.00 -0.04 0.00 0.00 33.50 34.04 9rub n PRO 129 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 9rub h GLU 130 N -0.29 0.00 0.07 0.54 4.57 -1.97 0.87 114.58 118.37 9rub h GLU 130 Ca -0.11 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.73 9rub h GLU 130 Cb 0.41 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 9rub h GLU 130 CO 0.06 0.20 -1.90 0.00 -1.18 0.00 0.00 179.01 176.19 9rub n ALA 131 N -2.22 1.16 0.01 2.92 0.00 -1.26 -3.44 120.51 117.67 9rub n ALA 131 Ca -0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 53.44 52.73 9rub n ALA 131 Cb 0.40 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 9rub n ALA 131 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 9rub h TYR 132 N 0.04 -0.11 -1.52 0.00 3.20 -1.87 -3.33 116.97 113.38 9rub h TYR 132 Ca -0.37 -0.00 0.46 0.00 3.14 0.00 0.00 58.73 61.95 9rub h TYR 132 Cb 2.03 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 40.24 9rub h TYR 132 CO 0.04 -0.07 1.05 -0.09 -1.64 0.00 0.00 178.16 177.46 9rub h ARG 133 N -0.86 0.05 0.00 1.82 2.43 0.75 0.38 114.38 118.95 9rub h ARG 133 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 9rub h ARG 133 Cb 0.09 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 9rub h ARG 133 CO 0.02 0.03 0.00 0.00 -1.51 0.00 0.00 179.97 178.51 9rub n ALA 134 N -2.72 1.94 -3.13 2.80 0.00 -1.22 -4.27 120.51 113.92 9rub n ALA 134 Ca 0.37 -0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.37 9rub n ALA 134 Cb 1.58 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 19.56 9rub n ALA 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 9rub s LEU 135 N -3.31 4.64 0.00 0.00 1.02 0.12 -5.00 118.68 116.15 9rub s LEU 135 Ca 0.09 -1.20 0.00 0.00 0.02 0.00 0.00 54.13 53.05 9rub s LEU 135 Cb 0.13 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.40 9rub s LEU 135 CO 0.40 -0.39 0.00 0.49 0.02 0.00 0.00 176.35 176.86 9rub n PHE 136 N 4.89 0.00 0.00 0.29 3.72 -1.26 -3.84 117.46 121.26 9rub n PHE 136 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 9rub n PHE 136 Cb 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 9rub n PHE 136 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 9rub n ASP 137 N 0.00 0.00 0.00 4.37 9.92 -1.16 -4.99 116.55 124.69 9rub n ASP 137 Ca 0.00 0.96 0.00 0.00 -0.53 0.00 0.00 54.79 55.22 9rub n ASP 137 Cb 0.00 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 9rub n ASP 137 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 9rub n GLY 138 N -0.98 -0.19 3.77 0.44 0.00 -0.01 -4.93 105.19 103.29 9rub n GLY 138 Ca 0.00 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 9rub n GLY 138 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 9rub s PRO 139 N -3.47 3.92 0.00 1.61 0.02 -1.25 -4.38 135.00 131.45 9rub s PRO 139 Ca 0.00 1.70 0.15 0.00 0.02 0.00 0.00 61.00 62.87 9rub s PRO 139 Cb 0.00 -2.48 0.21 0.00 0.02 0.00 0.00 34.50 32.25 9rub s PRO 139 CO 0.00 -0.40 1.10 -1.13 -0.33 0.00 0.00 177.00 176.24 9rub n SER 140 N -0.30 2.58 -3.60 2.53 3.41 -1.26 -4.68 113.62 112.30 9rub n SER 140 Ca 0.06 -1.75 -0.04 0.00 -0.26 0.00 0.00 58.87 56.88 9rub n SER 140 Cb 0.48 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 9rub n SER 140 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 9rub s VAL 141 N -1.19 0.00 0.00 -3.33 1.01 -1.26 -4.88 120.40 110.74 9rub s VAL 141 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.05 9rub s VAL 141 Cb 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 35.16 9rub s VAL 141 CO 0.20 0.00 0.00 -0.46 0.00 0.00 0.00 175.10 174.84 9rub n ASN 142 N -0.28 0.00 -0.36 3.32 0.23 -1.26 -4.51 115.26 112.39 9rub n ASN 142 Ca -0.05 -0.27 -0.01 0.00 -0.53 0.00 0.00 54.58 53.72 9rub n ASN 142 Cb 0.61 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.35 9rub n ASN 142 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 9rub n ILE 143 N 0.00 -0.50 0.00 1.53 0.13 -1.26 -0.44 119.36 118.82 9rub n ILE 143 Ca 0.00 2.22 0.00 0.00 -1.10 0.00 0.00 62.75 63.87 9rub n ILE 143 Cb 0.00 -2.93 0.00 0.00 -0.84 0.00 0.00 39.64 35.87 9rub n ILE 143 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 9rub n SER 144 N -5.40 0.00 -0.03 9.51 7.64 -1.26 -2.28 113.62 121.81 9rub n SER 144 Ca 0.10 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.95 9rub n SER 144 Cb 0.38 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.54 9rub n SER 144 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 9rub n ALA 145 N 0.03 1.89 0.21 -0.43 0.00 0.41 -3.87 120.51 118.75 9rub n ALA 145 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 53.44 52.98 9rub n ALA 145 Cb 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 9rub n ALA 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 9rub h LEU 146 N 0.00 -0.49 0.51 0.00 5.85 -1.59 -3.13 115.31 116.45 9rub h LEU 146 Ca -0.14 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 9rub h LEU 146 Cb 1.26 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 9rub h LEU 146 CO 0.01 -0.06 -0.35 -0.50 -0.34 0.00 0.00 178.44 177.19 9rub h TRP 147 N -1.10 -0.93 0.00 1.25 6.55 -1.75 -0.15 115.95 119.82 9rub h TRP 147 Ca -0.06 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.78 9rub h TRP 147 Cb 0.51 0.34 0.00 0.00 -0.86 0.00 0.00 29.16 29.15 9rub h TRP 147 CO 0.01 -0.52 0.02 1.17 -1.05 0.00 0.00 178.44 178.07 9rub n LYS 148 N -5.48 0.00 -0.01 0.49 4.81 -1.25 -1.33 118.16 115.40 9rub n LYS 148 Ca -0.12 0.35 0.05 0.00 -0.87 0.00 0.00 58.31 57.73 9rub n LYS 148 Cb 0.37 -1.52 -0.09 0.00 0.02 0.00 0.00 35.03 33.82 9rub n LYS 148 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 9rub n VAL 149 N -1.34 0.03 0.12 3.15 0.24 -0.21 -4.25 118.33 116.06 9rub n VAL 149 Ca 0.00 -0.27 -0.02 0.00 -2.04 0.00 0.00 64.34 62.01 9rub n VAL 149 Cb 0.02 0.19 0.20 0.00 -1.47 0.00 0.00 33.84 32.78 9rub n VAL 149 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 9rub h LEU 150 N 0.00 0.15 -0.10 1.34 3.38 0.15 -3.45 115.31 116.79 9rub h LEU 150 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 9rub h LEU 150 Cb 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 9rub h LEU 150 CO 0.00 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.79 9rub n GLY 151 N 0.02 0.74 3.54 0.83 0.00 -0.66 -4.72 105.19 104.95 9rub n GLY 151 Ca -0.02 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 9rub n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 9rub s ARG 152 N -1.69 1.78 0.48 1.61 0.52 -1.11 -5.04 118.95 115.50 9rub s ARG 152 Ca 0.00 -1.54 -0.11 0.00 -0.52 0.00 0.00 55.73 53.56 9rub s ARG 152 Cb 0.00 0.46 -0.06 0.00 0.52 0.00 0.00 34.95 35.87 9rub s ARG 152 CO 0.00 -0.74 0.86 -1.25 0.02 0.00 0.00 175.30 174.19 9rub s PRO 153 N -3.38 3.73 0.23 3.54 0.04 -1.26 -4.46 135.00 133.44 9rub s PRO 153 Ca 0.27 0.56 0.11 0.00 0.04 0.00 0.00 61.00 61.98 9rub s PRO 153 Cb -0.01 -2.28 0.11 0.00 0.04 0.00 0.00 34.50 32.36 9rub s PRO 153 CO 0.15 -0.22 1.46 0.93 0.04 0.00 0.00 177.00 179.36 9rub h GLU 154 N 0.69 0.00 -6.48 4.56 5.08 -1.95 -3.39 114.58 113.09 9rub h GLU 154 Ca -0.46 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.43 9rub h GLU 154 Cb 1.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.45 9rub h GLU 154 CO 0.63 0.71 -0.23 0.08 -1.00 0.00 0.00 179.01 179.20 9rub s VAL 155 N -3.09 4.93 0.00 3.13 1.01 -1.26 -4.59 120.40 120.53 9rub s VAL 155 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.41 9rub s VAL 155 Cb 0.10 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.69 9rub s VAL 155 CO 0.77 -0.47 0.00 0.47 0.00 0.00 0.00 175.10 175.87 9rub n ASP 156 N -1.76 0.00 0.00 3.32 8.00 -1.26 -4.81 116.55 120.04 9rub n ASP 156 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 9rub n ASP 156 Cb 0.57 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 9rub n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 9rub n GLY 157 N 0.00 0.00 2.51 0.44 0.00 -1.26 -4.91 105.19 101.97 9rub n GLY 157 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 9rub n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9rub n GLY 158 N -0.64 -1.50 3.69 -0.02 0.00 -1.26 -4.82 105.19 100.64 9rub n GLY 158 Ca 0.00 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 9rub n GLY 158 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 9rub n LEU 159 N 0.00 3.96 -4.53 0.99 7.94 -0.30 -4.55 117.00 120.51 9rub n LEU 159 Ca 0.01 0.99 -0.36 0.00 -1.11 0.00 0.00 56.01 55.54 9rub n LEU 159 Cb 0.47 -1.53 -0.11 0.00 0.53 0.00 0.00 43.42 42.77 9rub n LEU 159 CO 0.01 0.14 -0.26 -0.69 -1.11 0.00 0.00 177.39 175.48 9rub s VAL 160 N 2.63 4.58 -0.05 1.96 1.01 -1.18 -5.03 120.40 124.33 9rub s VAL 160 Ca 0.82 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.74 9rub s VAL 160 Cb -0.50 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 9rub s VAL 160 CO 0.38 0.38 -0.13 -0.69 0.00 0.00 0.00 175.10 175.04 9rub s VAL 161 N 1.10 3.16 0.30 2.92 1.01 -1.26 -0.47 120.40 127.15 9rub s VAL 161 Ca 0.04 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 9rub s VAL 161 Cb -0.14 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.99 9rub s VAL 161 CO 0.03 0.57 0.52 -0.83 0.00 0.00 0.00 175.10 175.39 9rub s GLY 162 N -0.80 0.84 0.42 4.51 0.00 1.20 -1.70 107.32 111.79 9rub s GLY 162 Ca 0.12 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 43.78 9rub s GLY 162 CO 0.01 -0.71 0.07 -0.37 0.00 0.00 0.00 173.10 172.10 9rub n THR 163 N -0.46 0.00 -3.93 0.90 5.66 -0.81 -0.46 114.28 115.17 9rub n THR 163 Ca -0.02 -2.20 -0.29 0.00 -3.05 0.00 0.00 64.05 58.49 9rub n THR 163 Cb 0.62 0.63 -0.16 0.00 -1.55 0.00 0.00 70.33 69.86 9rub n THR 163 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 9rub s ILE 164 N -2.83 1.28 -0.15 1.09 1.01 -1.26 -2.70 121.20 117.64 9rub s ILE 164 Ca 0.10 -0.68 -0.37 0.00 0.00 0.00 0.00 60.65 59.70 9rub s ILE 164 Cb 0.00 -1.38 -0.14 0.00 0.01 0.00 0.00 42.46 40.95 9rub s ILE 164 CO 0.07 0.21 1.75 -0.38 0.00 0.00 0.00 174.94 176.59 9rub n ILE 165 N 4.83 0.36 -4.88 2.92 2.08 -1.25 -4.97 119.36 118.44 9rub n ILE 165 Ca -0.13 -0.07 -0.27 0.00 0.56 0.00 0.00 62.75 62.85 9rub n ILE 165 Cb 0.48 -1.46 -0.16 0.00 -0.75 0.00 0.00 39.64 37.75 9rub n ILE 165 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 9rub s LYS 166 N 3.31 1.89 0.54 0.38 1.02 -1.26 -4.14 119.74 121.47 9rub s LYS 166 Ca 0.94 -0.64 -0.20 0.00 0.02 0.00 0.00 55.97 56.08 9rub s LYS 166 Cb -0.89 -1.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 9rub s LYS 166 CO 0.57 0.25 1.20 -1.25 -0.92 0.00 0.00 175.35 175.20 9rub s PRO 167 N 0.03 3.30 0.62 -1.68 0.04 -1.26 -5.09 135.00 130.96 9rub s PRO 167 Ca -0.04 1.81 0.35 0.00 0.04 0.00 0.00 61.00 63.16 9rub s PRO 167 Cb -0.12 -2.12 1.92 0.00 0.04 0.00 0.00 34.50 34.23 9rub s PRO 167 CO 0.02 -0.94 2.08 -0.22 0.04 0.00 0.00 177.00 177.98 9rub h LYS 168 N 1.35 0.00 -1.46 4.56 3.64 -1.97 -3.42 116.57 119.26 9rub h LYS 168 Ca -0.50 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 58.98 9rub h LYS 168 Cb 1.28 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.83 9rub h LYS 168 CO 0.57 0.00 0.59 -0.51 -2.27 0.00 0.00 179.45 177.83 9rub s LEU 169 N -5.73 -0.33 0.00 5.20 1.43 -1.26 -4.62 118.68 113.37 9rub s LEU 169 Ca -0.04 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 9rub s LEU 169 Cb 0.10 1.69 0.00 0.00 0.03 0.00 0.00 46.19 48.01 9rub s LEU 169 CO 0.32 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.33 9rub n GLY 170 N 1.53 0.27 0.00 -3.19 0.00 -1.26 -5.12 105.19 97.41 9rub n GLY 170 Ca -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.58 9rub n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 9rub n LEU 171 N 0.00 0.00 0.00 0.99 4.32 -1.26 -4.79 117.00 116.26 9rub n LEU 171 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 9rub n LEU 171 Cb 0.00 0.00 0.19 0.00 -1.62 0.00 0.00 43.42 41.99 9rub n LEU 171 CO 0.00 0.00 0.22 0.54 -1.22 0.00 0.00 177.39 176.93 9rub n ARG 172 N 0.43 -2.71 -0.19 3.23 1.74 -1.26 -4.55 116.66 113.35 9rub n ARG 172 Ca 0.00 -0.94 -0.01 0.00 -0.77 0.00 0.00 57.85 56.12 9rub n ARG 172 Cb 0.00 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.15 9rub n ARG 172 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 9rub h PRO 173 N 0.00 0.94 0.21 5.56 0.13 -1.92 -3.29 132.00 133.63 9rub h PRO 173 Ca -0.25 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 9rub h PRO 173 Cb 0.86 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.81 9rub h PRO 173 CO 0.15 0.72 -0.10 -0.22 -0.23 0.00 0.00 178.00 178.32 9rub h LYS 174 N 0.94 -0.28 -0.77 0.86 3.64 -1.98 -2.58 116.57 116.40 9rub h LYS 174 Ca 0.23 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.79 9rub h LYS 174 Cb 0.07 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 31.81 9rub h LYS 174 CO -0.03 0.07 -0.15 -1.35 -2.27 0.00 0.00 179.45 175.72 9rub h PRO 175 N -0.67 0.02 -0.24 1.90 0.11 -1.91 0.86 132.00 132.06 9rub h PRO 175 Ca -0.03 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 9rub h PRO 175 Cb 0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 9rub h PRO 175 CO 0.05 0.01 0.03 0.35 -0.21 0.00 0.00 178.00 178.23 9rub h PHE 176 N 0.02 0.44 0.08 0.65 3.57 -1.63 0.24 116.94 120.31 9rub h PHE 176 Ca 0.39 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 9rub h PHE 176 Cb 0.62 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.24 9rub h PHE 176 CO -0.57 0.54 -0.04 0.00 -2.23 0.00 0.00 178.31 176.01 9rub h ALA 177 N 0.84 -0.11 -0.54 2.41 0.00 -0.13 -2.72 119.26 119.02 9rub h ALA 177 Ca 0.07 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.03 9rub h ALA 177 Cb 0.35 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 9rub h ALA 177 CO 0.01 -0.54 0.15 0.93 0.00 0.00 0.00 179.25 179.80 9rub h GLU 178 N -0.15 0.29 0.00 0.00 3.07 0.59 0.97 114.58 119.36 9rub h GLU 178 Ca -0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 9rub h GLU 178 Cb 0.12 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 9rub h GLU 178 CO 0.02 0.19 0.00 0.00 -1.40 0.00 0.00 179.01 177.82 9rub h ALA 179 N 1.40 1.00 0.03 3.43 0.00 -0.22 -3.19 119.26 121.70 9rub h ALA 179 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 9rub h ALA 179 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 9rub h ALA 179 CO -0.31 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 178.92 9rub h HIS 181 N -0.99 -1.14 0.00 0.00 6.17 -1.43 0.74 115.15 118.50 9rub h HIS 181 Ca -0.00 0.07 -0.03 0.00 0.71 0.00 0.00 60.37 61.11 9rub h HIS 181 Cb 0.38 0.56 -0.00 0.00 2.52 0.00 0.00 27.41 30.86 9rub h HIS 181 CO 0.10 -0.42 -0.14 0.00 0.71 0.00 0.00 177.93 178.17 9rub h ALA 182 N 0.58 1.46 0.04 5.26 0.00 -1.74 0.33 119.26 125.19 9rub h ALA 182 Ca 0.16 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 9rub h ALA 182 Cb 0.57 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 9rub h ALA 182 CO -0.59 0.18 -1.72 0.35 0.00 0.00 0.00 179.25 177.47 9rub h PHE 183 N 0.00 0.14 0.00 0.00 3.04 -1.15 -3.34 116.94 115.63 9rub h PHE 183 Ca -0.00 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.85 9rub h PHE 183 Cb 0.31 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.82 9rub h PHE 183 CO 0.00 1.19 0.00 0.91 -2.02 0.00 0.00 178.31 178.39 9rub n TRP 184 N -3.18 0.00 -1.85 0.41 8.01 0.24 -2.93 117.44 118.14 9rub n TRP 184 Ca -0.19 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 55.84 9rub n TRP 184 Cb 1.04 -0.02 0.08 0.00 -2.01 0.00 0.00 31.31 30.41 9rub n TRP 184 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 9rub n LEU 185 N 0.06 4.43 0.12 -0.99 4.77 -1.16 -4.74 117.00 119.49 9rub n LEU 185 Ca 0.00 -4.45 0.00 0.00 -0.03 0.00 0.00 56.01 51.53 9rub n LEU 185 Cb 0.04 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 9rub n LEU 185 CO 0.00 1.85 0.00 0.61 -1.33 0.00 0.00 177.39 178.52 9rub n GLY 186 N -0.85 -1.73 3.87 -0.72 0.00 -1.15 -4.89 105.19 99.71 9rub n GLY 186 Ca 0.38 0.48 -0.29 0.00 0.00 0.00 0.00 46.02 46.59 9rub n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 9rub s GLY 187 N -1.78 1.60 -0.18 -0.02 0.00 -1.20 -4.37 107.32 101.37 9rub s GLY 187 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 44.72 43.93 9rub s GLY 187 CO 0.00 -0.13 -0.30 1.22 0.00 0.00 0.00 173.10 173.89 9rub n ASP 188 N -3.47 1.74 -4.21 1.64 8.00 -0.69 -4.72 116.55 114.84 9rub n ASP 188 Ca 0.08 0.29 -0.34 0.00 0.71 0.00 0.00 54.79 55.53 9rub n ASP 188 Cb 0.60 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.87 9rub n ASP 188 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 9rub s PHE 189 N -2.61 2.99 0.13 1.24 5.36 -0.70 -0.81 117.98 123.58 9rub s PHE 189 Ca -0.28 -1.44 0.05 0.00 -0.96 0.00 0.00 56.93 54.30 9rub s PHE 189 Cb 0.08 -2.04 -0.04 0.00 -0.34 0.00 0.00 43.02 40.67 9rub s PHE 189 CO 0.39 -0.70 0.03 0.42 -1.46 0.00 0.00 175.22 173.90 9rub s ILE 190 N 1.35 4.08 0.01 3.12 1.01 0.32 -1.93 121.20 129.15 9rub s ILE 190 Ca 0.02 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 59.57 9rub s ILE 190 Cb -0.15 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 9rub s ILE 190 CO -0.06 0.01 -0.03 -1.59 0.00 0.00 0.00 174.94 173.27 9rub s LYS 191 N -2.65 0.23 0.81 2.79 -2.85 -1.10 0.47 119.74 117.44 9rub s LYS 191 Ca 0.28 -0.21 -0.12 0.00 -1.00 0.00 0.00 55.97 54.92 9rub s LYS 191 Cb -0.11 -0.15 0.08 0.00 -2.06 0.00 0.00 37.83 35.58 9rub s LYS 191 CO 0.20 0.04 1.11 0.54 0.10 0.00 0.00 175.35 177.33 9rub s ASN 192 N -0.37 4.42 1.15 0.03 2.20 -1.07 -3.95 114.94 117.34 9rub s ASN 192 Ca -0.02 1.21 -0.14 0.00 -0.94 0.00 0.00 52.86 52.97 9rub s ASN 192 Cb -0.03 -1.92 0.21 0.00 -2.00 0.00 0.00 41.25 37.51 9rub s ASN 192 CO -0.00 -2.00 0.80 -0.67 -2.94 0.00 0.00 177.10 172.29 9rub n ASP 193 N -3.44 -1.46 -0.19 3.54 -0.08 -1.26 -4.87 116.55 108.78 9rub n ASP 193 Ca 0.07 -1.03 -0.04 0.00 -1.51 0.00 0.00 54.79 52.28 9rub n ASP 193 Cb 0.57 -0.71 0.15 0.00 2.34 0.00 0.00 41.12 43.47 9rub n ASP 193 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 9rub h GLU 194 N 0.00 0.97 -1.85 -0.67 9.09 -1.95 -3.15 114.58 117.02 9rub h GLU 194 Ca -0.29 -0.18 -0.18 0.00 0.05 0.00 0.00 59.36 58.76 9rub h GLU 194 Cb 0.88 -0.15 -0.07 0.00 -1.65 0.00 0.00 28.75 27.76 9rub h GLU 194 CO 0.19 0.82 0.11 -2.30 0.05 0.00 0.00 179.01 177.89 9rub n PRO 195 N -4.28 1.53 -4.44 1.06 -0.02 -1.26 -4.89 135.00 122.70 9rub n PRO 195 Ca 0.05 -0.86 -0.22 0.00 -2.02 0.00 0.00 63.50 60.45 9rub n PRO 195 Cb 0.21 -1.44 -0.16 0.00 -0.02 0.00 0.00 33.50 32.08 9rub n PRO 195 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 9rub s GLN 196 N -0.59 1.31 0.00 -0.52 0.74 -1.19 -4.94 119.66 114.47 9rub s GLN 196 Ca 0.25 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.35 9rub s GLN 196 Cb 0.16 -1.15 0.00 0.00 1.10 0.00 0.00 33.01 33.12 9rub s GLN 196 CO -0.02 0.02 0.00 0.41 -0.55 0.00 0.00 175.29 175.15 9rub n GLY 197 N 3.77 0.78 3.06 2.59 0.00 -1.26 -4.67 105.19 109.46 9rub n GLY 197 Ca -0.23 0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 9rub n GLY 197 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 9rub n ASN 198 N 0.00 5.56 -4.81 1.61 5.15 -1.26 -3.35 115.26 118.16 9rub n ASN 198 Ca 0.00 -3.17 -0.34 0.00 -0.60 0.00 0.00 54.58 50.47 9rub n ASN 198 Cb 0.00 -1.42 -0.07 0.00 -0.53 0.00 0.00 39.78 37.76 9rub n ASN 198 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 9rub s GLN 199 N -0.56 4.27 0.44 1.20 1.11 -1.21 -4.88 119.66 120.03 9rub s GLN 199 Ca 0.37 1.17 0.18 0.00 0.01 0.00 0.00 55.36 57.09 9rub s GLN 199 Cb 0.04 -2.29 1.13 0.00 -1.01 0.00 0.00 33.01 30.88 9rub s GLN 199 CO 0.02 0.01 1.91 -1.00 0.01 0.00 0.00 175.29 176.24 9rub h PRO 200 N 2.12 0.33 0.00 2.91 0.13 -2.02 -2.66 132.00 132.81 9rub h PRO 200 Ca -0.49 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 9rub h PRO 200 Cb 1.18 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 9rub h PRO 200 CO 0.62 0.22 -0.24 0.27 -0.23 0.00 0.00 178.00 178.64 9rub h PHE 201 N 0.34 0.00 -1.28 1.56 -5.15 -1.95 -3.39 116.94 107.06 9rub h PHE 201 Ca 0.39 0.00 -0.35 0.00 -0.20 0.00 0.00 57.97 57.81 9rub h PHE 201 Cb 1.00 0.00 -0.25 0.00 0.22 0.00 0.00 35.95 36.92 9rub h PHE 201 CO -0.00 0.24 -0.72 0.00 -2.00 0.00 0.00 178.31 175.82 9rub n ALA 202 N -2.22 0.16 -2.65 12.09 0.00 -1.01 -4.35 120.51 122.53 9rub n ALA 202 Ca 0.00 -2.04 -0.42 0.00 0.00 0.00 0.00 53.44 50.98 9rub n ALA 202 Cb 0.45 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 9rub n ALA 202 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 9rub s PRO 203 N 0.27 4.20 0.00 0.00 0.04 -1.17 -3.35 135.00 134.99 9rub s PRO 203 Ca 0.32 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.38 9rub s PRO 203 Cb 0.09 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.99 9rub s PRO 203 CO -0.15 -0.54 0.00 -0.11 0.04 0.00 0.00 177.00 176.25 9rub n LEU 204 N 6.05 0.00 -0.16 -3.56 -0.00 -1.21 0.48 117.00 118.59 9rub n LEU 204 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.98 9rub n LEU 204 Cb 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.85 9rub n LEU 204 CO 0.48 0.00 0.57 0.03 -0.00 0.00 0.00 177.39 178.47 9rub h ARG 205 N 0.00 -0.28 0.01 1.96 3.08 -1.94 -1.48 114.38 115.73 9rub h ARG 205 Ca 0.00 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 9rub h ARG 205 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.11 9rub h ARG 205 CO 0.00 -0.19 -0.00 0.38 -1.07 0.00 0.00 179.97 179.09 9rub h ASP 206 N -0.29 -0.01 -0.76 7.04 3.04 -0.39 -3.24 116.42 121.81 9rub h ASP 206 Ca 0.15 -0.77 0.22 0.00 -3.24 0.00 0.00 57.03 53.39 9rub h ASP 206 Cb 0.58 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.84 9rub h ASP 206 CO -0.62 0.87 0.94 0.74 -2.04 0.00 0.00 179.24 179.13 9rub h THR 207 N -0.98 0.11 0.00 1.15 2.02 -1.54 0.17 112.91 113.84 9rub h THR 207 Ca -0.00 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.89 9rub h THR 207 Cb 0.78 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 9rub h THR 207 CO 0.00 0.00 -2.07 -0.38 0.37 0.00 0.00 175.52 173.44 9rub n ILE 208 N -3.34 1.27 -0.01 3.11 2.08 -0.56 -2.91 119.36 119.01 9rub n ILE 208 Ca 0.16 -0.79 -0.13 0.00 0.56 0.00 0.00 62.75 62.56 9rub n ILE 208 Cb 1.19 -0.58 -0.01 0.00 -0.75 0.00 0.00 39.64 39.49 9rub n ILE 208 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 9rub h ALA 209 N 1.16 0.51 0.19 -1.39 0.00 -0.72 -1.56 119.26 117.45 9rub h ALA 209 Ca -0.38 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 9rub h ALA 209 Cb 1.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.72 9rub h ALA 209 CO 0.04 0.71 -0.09 1.25 0.00 0.00 0.00 179.25 181.15 9rub h LEU 210 N 0.46 -0.22 -1.00 0.00 5.85 -1.52 -1.67 115.31 117.21 9rub h LEU 210 Ca -0.02 0.01 0.23 0.00 0.84 0.00 0.00 57.88 58.94 9rub h LEU 210 Cb 1.26 0.06 -0.19 0.00 0.37 0.00 0.00 40.66 42.15 9rub h LEU 210 CO 0.13 -0.08 -0.15 0.58 -0.34 0.00 0.00 178.44 178.58 9rub h VAL 211 N -0.41 0.00 0.00 1.05 2.07 -1.49 0.65 116.25 118.12 9rub h VAL 211 Ca -0.03 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 9rub h VAL 211 Cb 0.20 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 9rub h VAL 211 CO 0.04 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 177.44 9rub h ALA 212 N 2.00 1.25 -0.02 1.67 0.00 -1.31 -0.13 119.26 122.72 9rub h ALA 212 Ca 0.53 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 9rub h ALA 212 Cb 0.92 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.69 9rub h ALA 212 CO -1.00 0.25 -0.36 0.22 0.00 0.00 0.00 179.25 178.36 9rub h ASP 213 N 0.00 0.35 -0.19 0.00 3.58 0.12 -3.21 116.42 117.06 9rub h ASP 213 Ca -0.00 -0.74 -0.03 0.00 0.42 0.00 0.00 57.03 56.68 9rub h ASP 213 Cb 0.50 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 9rub h ASP 213 CO 0.03 1.04 0.04 0.00 -2.88 0.00 0.00 179.24 177.46 9rub h ALA 214 N 0.32 1.55 0.66 -0.78 0.00 -0.64 -2.80 119.26 117.57 9rub h ALA 214 Ca -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 9rub h ALA 214 Cb 1.08 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.75 9rub h ALA 214 CO 0.07 0.34 -0.32 1.98 0.00 0.00 0.00 179.25 181.32 9rub h MET 215 N 0.41 -0.86 0.00 0.00 1.85 -1.03 -2.73 114.93 112.57 9rub h MET 215 Ca 0.10 0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 9rub h MET 215 Cb 0.21 0.20 0.00 0.00 0.43 0.00 0.00 31.60 32.43 9rub h MET 215 CO 0.00 -0.57 0.00 0.00 -0.40 0.00 0.00 176.91 175.95 9rub h ARG 216 N -0.91 0.00 0.07 0.39 3.08 -1.52 -2.25 114.38 113.24 9rub h ARG 216 Ca -0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 9rub h ARG 216 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 9rub h ARG 216 CO 0.15 0.00 -0.03 0.00 -1.07 0.00 0.00 179.97 179.02 9rub h ARG 217 N 0.00 -0.09 -0.12 0.04 3.08 -1.35 -3.26 114.38 112.68 9rub h ARG 217 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 9rub h ARG 217 Cb 0.17 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 9rub h ARG 217 CO 0.00 0.50 0.04 0.00 -1.07 0.00 0.00 179.97 179.44 9rub h ALA 218 N -0.04 1.84 -0.45 0.04 0.00 -1.30 -2.21 119.26 117.15 9rub h ALA 218 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 9rub h ALA 218 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 9rub h ALA 218 CO 0.01 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.39 9rub n GLN 219 N -4.48 3.96 0.00 0.00 10.64 -0.88 -2.77 117.38 123.85 9rub n GLN 219 Ca -0.01 -2.42 0.00 0.00 -1.83 0.00 0.00 57.00 52.74 9rub n GLN 219 Cb 0.11 -2.07 0.00 0.00 -0.86 0.00 0.00 30.24 27.42 9rub n GLN 219 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 9rub n ASP 220 N 0.50 0.00 0.00 2.61 9.92 -0.85 -4.30 116.55 124.44 9rub n ASP 220 Ca 0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 9rub n ASP 220 Cb 0.97 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 41.37 9rub n ASP 220 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 9rub n GLU 221 N -1.60 0.00 0.00 -1.24 1.02 -1.11 -0.88 120.64 116.83 9rub n GLU 221 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 9rub n GLU 221 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 9rub n GLU 221 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 9rub n THR 222 N -0.91 0.00 0.00 2.62 -2.24 -1.11 -5.04 114.28 107.60 9rub n THR 222 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 9rub n THR 222 Cb 0.06 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 9rub n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 9rub n GLY 223 N 1.16 2.64 3.81 3.38 0.00 -0.06 -4.94 105.19 111.18 9rub n GLY 223 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 9rub n GLY 223 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 9rub s GLU 224 N 0.00 2.90 -0.03 1.61 -1.05 -1.26 -4.98 118.70 115.88 9rub s GLU 224 Ca 0.00 -1.00 -0.19 0.00 -0.15 0.00 0.00 54.97 53.63 9rub s GLU 224 Cb 0.00 -2.58 -0.05 0.00 -0.44 0.00 0.00 34.13 31.06 9rub s GLU 224 CO 0.00 0.43 0.53 0.00 0.95 0.00 0.00 175.26 177.17 9rub s ALA 225 N -2.01 3.52 -0.11 -0.84 0.00 -1.26 -4.46 121.76 116.60 9rub s ALA 225 Ca 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.19 9rub s ALA 225 Cb -0.09 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 9rub s ALA 225 CO 0.24 0.18 -0.02 0.15 0.00 0.00 0.00 175.76 176.31 9rub s LYS 226 N -0.13 3.17 -0.04 0.00 3.01 -1.26 -4.81 119.74 119.68 9rub s LYS 226 Ca 0.28 -0.46 0.04 0.00 -1.01 0.00 0.00 55.97 54.83 9rub s LYS 226 Cb -0.17 -2.81 -0.03 0.00 -1.01 0.00 0.00 37.83 33.81 9rub s LYS 226 CO 0.15 0.55 -0.16 -0.51 0.51 0.00 0.00 175.35 175.88 9rub s LEU 227 N -0.47 2.62 -0.07 3.17 1.43 0.01 -4.86 118.68 120.51 9rub s LEU 227 Ca 0.08 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 9rub s LEU 227 Cb -0.12 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.60 9rub s LEU 227 CO 0.02 0.34 -0.09 0.12 0.23 0.00 0.00 176.35 176.97 9rub s PHE 228 N -0.72 1.27 -0.66 0.29 5.36 0.22 -0.52 117.98 123.22 9rub s PHE 228 Ca 0.11 -0.48 -0.05 0.00 -0.96 0.00 0.00 56.93 55.55 9rub s PHE 228 Cb -0.10 -0.99 0.17 0.00 -0.34 0.00 0.00 43.02 41.76 9rub s PHE 228 CO 0.00 -0.29 0.51 0.45 -1.46 0.00 0.00 175.22 174.43 9rub s SER 229 N 0.91 5.59 -0.23 6.13 0.15 0.18 0.18 113.70 126.61 9rub s SER 229 Ca -0.10 -2.78 -0.21 0.00 0.70 0.00 0.00 55.95 53.56 9rub s SER 229 Cb -0.15 -1.94 -0.02 0.00 -1.71 0.00 0.00 66.02 62.20 9rub s SER 229 CO 0.01 -0.43 0.64 0.00 1.20 0.00 0.00 173.24 174.66 9rub s ALA 230 N 0.04 3.59 -0.50 5.45 0.00 -1.03 -2.61 121.76 126.70 9rub s ALA 230 Ca 0.17 -0.36 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 9rub s ALA 230 Cb -0.18 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 9rub s ALA 230 CO -0.05 -0.71 2.07 1.21 0.00 0.00 0.00 175.76 178.28 9rub s ASN 231 N 1.36 5.07 -0.35 0.00 2.47 -1.26 -1.81 114.94 120.42 9rub s ASN 231 Ca 0.28 0.84 0.07 0.00 0.42 0.00 0.00 52.86 54.47 9rub s ASN 231 Cb -0.16 -2.52 0.45 0.00 -1.45 0.00 0.00 41.25 37.57 9rub s ASN 231 CO 0.09 -2.44 1.15 2.30 -3.72 0.00 0.00 177.10 174.49 9rub n ILE 232 N 7.56 2.39 -3.05 -5.21 -5.35 0.78 -4.71 119.36 111.76 9rub n ILE 232 Ca 0.27 -4.43 -0.41 0.00 -0.27 0.00 0.00 62.75 57.91 9rub n ILE 232 Cb 0.52 -1.06 -0.06 0.00 -1.74 0.00 0.00 39.64 37.29 9rub n ILE 232 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 9rub s THR 233 N -4.90 4.87 0.01 7.28 2.01 -1.25 -4.52 115.64 119.14 9rub s THR 233 Ca 0.48 0.92 -0.12 0.00 0.31 0.00 0.00 61.69 63.28 9rub s THR 233 Cb 0.40 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.86 9rub s THR 233 CO -0.05 -0.22 0.25 0.00 -0.69 0.00 0.00 174.62 173.91 9rub s ALA 234 N 2.77 -0.59 0.17 7.40 0.00 -1.26 -5.00 121.76 125.24 9rub s ALA 234 Ca 0.28 0.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 9rub s ALA 234 Cb -0.14 0.16 0.09 0.00 0.00 0.00 0.00 23.12 23.22 9rub s ALA 234 CO 0.13 -0.29 1.77 -0.44 0.00 0.00 0.00 175.76 176.93 9rub h ASP 235 N 3.79 0.26 -3.51 0.00 5.19 -1.96 -3.42 116.42 116.77 9rub h ASP 235 Ca -0.31 0.03 -0.61 0.00 -0.62 0.00 0.00 57.03 55.52 9rub h ASP 235 Cb 1.19 -0.01 -0.11 0.00 0.18 0.00 0.00 39.33 40.57 9rub h ASP 235 CO 0.42 0.19 0.37 -0.62 -3.12 0.00 0.00 179.24 176.48 9rub s ASP 236 N -5.43 6.57 0.31 6.45 2.15 -1.26 -4.97 116.67 120.49 9rub s ASP 236 Ca -0.13 0.42 0.08 0.00 0.43 0.00 0.00 52.55 53.35 9rub s ASP 236 Cb 0.13 -2.40 0.88 0.00 -0.30 0.00 0.00 42.92 41.23 9rub s ASP 236 CO 0.72 -0.69 1.66 -0.65 -0.17 0.00 0.00 175.17 176.04 9rub h PRO 237 N 8.39 0.29 0.00 4.34 0.11 -1.94 1.56 132.00 144.76 9rub h PRO 237 Ca -0.25 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 9rub h PRO 237 Cb 1.10 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 9rub h PRO 237 CO 0.90 0.19 -0.23 0.74 -0.21 0.00 0.00 178.00 179.40 9rub h PHE 238 N 0.30 0.00 0.00 0.65 -1.00 -1.96 0.18 116.94 115.11 9rub h PHE 238 Ca 0.64 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.41 9rub h PHE 238 Cb 1.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.91 9rub h PHE 238 CO -0.13 0.23 -0.03 1.49 -1.61 0.00 0.00 178.31 178.26 9rub h GLU 239 N 0.00 0.01 -0.61 1.51 4.81 0.16 -2.26 114.58 118.21 9rub h GLU 239 Ca -0.00 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 9rub h GLU 239 Cb 0.59 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.89 9rub h GLU 239 CO 0.03 0.93 -0.49 0.82 -0.73 0.00 0.00 179.01 179.57 9rub h ILE 240 N -0.89 0.00 -1.01 2.32 2.04 0.08 -0.66 117.51 119.39 9rub h ILE 240 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 9rub h ILE 240 Cb 0.94 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 9rub h ILE 240 CO 0.01 0.00 0.65 0.40 0.00 0.00 0.00 178.15 179.21 9rub h ILE 241 N -0.17 1.11 -0.37 -0.67 2.04 -0.72 -2.75 117.51 115.98 9rub h ILE 241 Ca 0.10 -0.41 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 9rub h ILE 241 Cb 0.43 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 9rub h ILE 241 CO -0.66 0.22 -0.28 0.00 0.00 0.00 0.00 178.15 177.43 9rub h ALA 242 N 1.45 0.81 0.84 1.87 0.00 -0.53 -1.53 119.26 122.17 9rub h ALA 242 Ca 0.43 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 9rub h ALA 242 Cb 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.79 9rub h ALA 242 CO -0.16 0.65 -0.40 0.00 0.00 0.00 0.00 179.25 179.33 9rub h ARG 243 N 0.66 -1.08 -1.17 0.00 3.08 -1.31 -2.96 114.38 111.59 9rub h ARG 243 Ca 0.08 0.07 0.33 0.00 0.07 0.00 0.00 59.98 60.54 9rub h ARG 243 Cb 0.81 0.25 -0.09 0.00 0.08 0.00 0.00 29.97 31.02 9rub h ARG 243 CO 0.07 -0.72 0.78 0.78 -1.07 0.00 0.00 179.97 179.81 9rub h GLY 244 N -1.23 0.90 -0.58 0.04 0.00 -1.48 0.20 103.07 100.92 9rub h GLY 244 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.09 9rub h GLY 244 CO 0.19 -0.16 -0.63 -2.21 0.00 0.00 0.00 176.54 173.73 9rub n GLU 245 N -4.51 0.79 -0.01 4.80 2.13 -0.58 -3.42 120.64 119.84 9rub n GLU 245 Ca 0.29 -0.65 -0.17 0.00 0.66 0.00 0.00 57.16 57.29 9rub n GLU 245 Cb 1.13 -1.49 -0.14 0.00 0.27 0.00 0.00 31.44 31.22 9rub n GLU 245 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 9rub h TYR 246 N 1.58 0.26 0.78 4.31 3.20 -0.45 -3.17 116.97 123.48 9rub h TYR 246 Ca 0.00 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.64 9rub h TYR 246 Cb 0.66 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.93 9rub h TYR 246 CO 0.00 1.18 -0.38 -0.24 -1.64 0.00 0.00 178.16 177.08 9rub h VAL 247 N -0.69 0.00 0.00 1.81 3.04 -1.53 0.15 116.25 119.04 9rub h VAL 247 Ca -0.09 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.60 9rub h VAL 247 Cb 1.33 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 30.61 9rub h VAL 247 CO 0.07 0.00 -0.00 -0.07 -1.01 0.00 0.00 177.57 176.55 9rub h LEU 248 N -1.05 0.00 0.06 3.16 3.38 -1.74 -1.26 115.31 117.86 9rub h LEU 248 Ca -0.11 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.53 9rub h LEU 248 Cb 0.81 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 9rub h LEU 248 CO 0.17 0.00 -1.87 -0.62 0.09 0.00 0.00 178.44 176.21 9rub n GLU 249 N -3.10 0.70 -0.08 1.13 1.02 -1.01 -2.74 120.64 116.56 9rub n GLU 249 Ca -0.03 0.27 -0.12 0.00 -0.02 0.00 0.00 57.16 57.27 9rub n GLU 249 Cb 0.08 -1.75 -0.04 0.00 -0.02 0.00 0.00 31.44 29.71 9rub n GLU 249 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 9rub h THR 250 N 0.04 1.28 0.00 2.62 2.02 -0.39 -2.94 112.91 115.53 9rub h THR 250 Ca -0.36 -1.02 -0.05 0.00 0.77 0.00 0.00 66.41 65.75 9rub h THR 250 Cb 2.03 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 9rub h THR 250 CO 0.08 0.32 -0.25 -0.26 0.37 0.00 0.00 175.52 175.78 9rub h PHE 251 N 0.22 0.00 0.00 3.16 -1.00 -1.44 -3.46 116.94 114.42 9rub h PHE 251 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 9rub h PHE 251 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 9rub h PHE 251 CO 0.05 0.25 0.00 0.41 -1.61 0.00 0.00 178.31 177.40 9rub n GLY 252 N -0.03 0.01 0.26 -1.45 0.00 -1.11 -1.26 105.19 101.62 9rub n GLY 252 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 9rub n GLY 252 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 9rub h GLU 253 N 0.00 0.00 -1.00 1.61 9.09 -1.88 -3.10 114.58 119.31 9rub h GLU 253 Ca 0.00 0.00 -0.44 0.00 0.05 0.00 0.00 59.36 58.97 9rub h GLU 253 Cb 0.00 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 26.69 9rub h GLU 253 CO 0.00 0.06 -0.97 0.27 0.05 0.00 0.00 179.01 178.42 9rub n ASN 254 N -3.18 3.09 0.18 3.06 0.23 -0.39 -4.81 115.26 113.44 9rub n ASN 254 Ca 0.01 -3.07 0.06 0.00 -0.53 0.00 0.00 54.58 51.05 9rub n ASN 254 Cb 0.35 -0.46 0.16 0.00 -2.08 0.00 0.00 39.78 37.75 9rub n ASN 254 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 9rub h ALA 255 N 2.64 0.82 0.00 -2.53 0.00 -1.59 -3.23 119.26 115.38 9rub h ALA 255 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.71 9rub h ALA 255 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 9rub h ALA 255 CO 0.59 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 179.13 9rub n SER 256 N -3.24 0.00 -0.60 0.00 3.41 -1.26 -3.07 113.62 108.86 9rub n SER 256 Ca 0.02 -0.37 0.08 0.00 -0.26 0.00 0.00 58.87 58.34 9rub n SER 256 Cb 0.62 -0.16 0.05 0.00 -0.26 0.00 0.00 64.21 64.47 9rub n SER 256 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 9rub n HIS 257 N -1.16 0.00 -3.19 7.33 -0.00 -1.22 -4.83 115.22 112.15 9rub n HIS 257 Ca 0.14 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.44 9rub n HIS 257 Cb 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.06 9rub n HIS 257 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 9rub s VAL 258 N -1.51 4.95 0.42 1.59 1.01 -1.17 -0.61 120.40 125.07 9rub s VAL 258 Ca 0.18 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 9rub s VAL 258 Cb 0.14 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 9rub s VAL 258 CO 0.25 -0.40 0.74 0.00 0.00 0.00 0.00 175.10 175.70 9rub s ALA 259 N 2.54 3.41 -0.21 5.51 0.00 0.48 -4.24 121.76 129.25 9rub s ALA 259 Ca 0.20 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 9rub s ALA 259 Cb -0.15 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.38 9rub s ALA 259 CO 0.16 -0.11 -0.08 -0.51 0.00 0.00 0.00 175.76 175.22 9rub s LEU 260 N -4.16 2.71 -0.15 0.00 1.02 0.12 -2.45 118.68 115.77 9rub s LEU 260 Ca 0.48 -0.45 -0.03 0.00 0.02 0.00 0.00 54.13 54.15 9rub s LEU 260 Cb -0.10 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 9rub s LEU 260 CO 0.36 -0.01 -0.04 -0.22 0.02 0.00 0.00 176.35 176.46 9rub s LEU 261 N 1.42 3.22 -0.07 1.79 2.96 -0.75 0.11 118.68 127.35 9rub s LEU 261 Ca 0.05 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 9rub s LEU 261 Cb -0.14 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.80 9rub s LEU 261 CO -0.05 0.17 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.41 9rub s VAL 262 N 0.35 0.65 -1.51 1.68 1.01 -1.17 -0.15 120.40 121.26 9rub s VAL 262 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.82 9rub s VAL 262 Cb -0.14 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.53 9rub s VAL 262 CO 0.03 0.28 0.27 0.47 0.00 0.00 0.00 175.10 176.15 9rub n ASP 263 N 4.59 0.17 0.00 3.32 8.00 -1.26 -3.23 116.55 128.14 9rub n ASP 263 Ca -0.16 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.63 9rub n ASP 263 Cb 0.50 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 9rub n ASP 263 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 9rub n GLY 264 N 0.08 0.00 0.06 0.44 0.00 -1.25 -3.53 105.19 100.99 9rub n GLY 264 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 9rub n GLY 264 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 9rub n TYR 265 N 0.00 0.15 -0.01 1.61 9.36 -1.26 -4.07 117.16 122.94 9rub n TYR 265 Ca 0.00 0.07 -0.00 0.00 3.32 0.00 0.00 57.90 61.29 9rub n TYR 265 Cb 0.00 -0.41 -0.00 0.00 -0.63 0.00 0.00 39.34 38.30 9rub n TYR 265 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 9rub n VAL 266 N -3.85 0.04 0.00 2.97 0.24 -1.23 -2.37 118.33 114.14 9rub n VAL 266 Ca -0.08 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 9rub n VAL 266 Cb 0.31 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 9rub n VAL 266 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 9rub n ALA 267 N 2.00 0.00 -0.63 2.33 0.00 -1.26 -5.02 120.51 117.93 9rub n ALA 267 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 9rub n ALA 267 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 9rub n ALA 267 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9rub n GLY 268 N 0.00 -0.76 0.41 0.00 0.00 -1.00 -3.86 105.19 99.98 9rub n GLY 268 Ca 0.00 -0.52 0.23 0.00 0.00 0.00 0.00 46.02 45.73 9rub n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9rub h ALA 269 N -0.59 2.58 0.00 4.61 0.00 -1.91 -1.18 119.26 122.77 9rub h ALA 269 Ca 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 9rub h ALA 269 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 9rub h ALA 269 CO 0.00 -0.78 -0.46 0.00 0.00 0.00 0.00 179.25 178.01 9rub h ALA 270 N 1.66 0.81 -0.21 0.00 0.00 -1.98 0.35 119.26 119.89 9rub h ALA 270 Ca 0.33 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 9rub h ALA 270 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 9rub h ALA 270 CO -0.02 0.58 -0.08 0.00 0.00 0.00 0.00 179.25 179.73 9rub h ALA 271 N 1.54 0.29 -0.03 0.00 0.00 -1.32 -1.40 119.26 118.34 9rub h ALA 271 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 9rub h ALA 271 Cb 1.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 9rub h ALA 271 CO 0.06 0.10 0.01 0.82 0.00 0.00 0.00 179.25 180.24 9rub h ILE 272 N 0.14 1.17 0.00 0.00 1.08 -1.52 -3.09 117.51 115.28 9rub h ILE 272 Ca 0.05 -0.50 -0.04 0.00 -0.39 0.00 0.00 64.86 63.98 9rub h ILE 272 Cb 0.55 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 9rub h ILE 272 CO 0.03 0.13 -0.19 0.74 -0.69 0.00 0.00 178.15 178.17 9rub h THR 273 N -0.16 0.85 0.24 -0.27 2.02 -0.15 -2.01 112.91 113.44 9rub h THR 273 Ca 0.01 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 9rub h THR 273 Cb 0.21 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 9rub h THR 273 CO -0.00 0.19 -0.12 0.74 0.37 0.00 0.00 175.52 176.70 9rub h THR 274 N 0.00 0.78 0.19 3.16 2.02 -1.17 -2.65 112.91 115.25 9rub h THR 274 Ca -0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 9rub h THR 274 Cb 0.42 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 9rub h THR 274 CO 0.03 0.03 -0.09 0.00 0.37 0.00 0.00 175.52 175.85 9rub h ALA 275 N 0.35 -0.26 -0.83 6.16 0.00 -1.59 0.11 119.26 123.20 9rub h ALA 275 Ca -0.03 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 54.93 9rub h ALA 275 Cb 0.30 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.06 9rub h ALA 275 CO 0.06 -0.53 0.19 -0.09 0.00 0.00 0.00 179.25 178.88 9rub h ARG 276 N -0.50 0.21 0.00 0.00 9.65 -1.40 0.90 114.38 123.24 9rub h ARG 276 Ca -0.03 -0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.66 9rub h ARG 276 Cb 0.38 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 9rub h ARG 276 CO 0.04 0.14 -1.79 0.54 2.80 0.00 0.00 179.97 181.70 9rub n ARG 277 N -5.22 0.65 0.01 0.20 1.74 -1.00 -3.74 116.66 109.29 9rub n ARG 277 Ca 0.18 0.06 -0.10 0.00 -0.77 0.00 0.00 57.85 57.23 9rub n ARG 277 Cb 0.59 -1.67 -0.14 0.00 -1.02 0.00 0.00 32.46 30.23 9rub n ARG 277 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 9rub h ARG 278 N 0.00 0.04 -2.18 5.56 1.12 -0.26 -3.38 114.38 115.28 9rub h ARG 278 Ca -0.22 -0.07 -0.58 0.00 -1.11 0.00 0.00 59.98 57.99 9rub h ARG 278 Cb 1.61 0.03 -0.42 0.00 -0.01 0.00 0.00 29.97 31.18 9rub h ARG 278 CO 0.03 0.72 -0.71 1.19 -3.11 0.00 0.00 179.97 178.09 9rub n PHE 279 N -3.19 3.07 0.18 2.20 3.72 0.31 -4.90 117.46 118.85 9rub n PHE 279 Ca -0.14 -4.02 0.04 0.00 -0.05 0.00 0.00 57.45 53.29 9rub n PHE 279 Cb 1.02 -0.50 0.47 0.00 -0.94 0.00 0.00 39.48 39.53 9rub n PHE 279 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 9rub h PRO 280 N 3.71 0.09 0.00 -1.08 0.13 -1.68 -3.24 132.00 129.93 9rub h PRO 280 Ca 0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 9rub h PRO 280 Cb 0.66 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.78 9rub h PRO 280 CO 0.77 0.24 0.00 -0.25 -0.23 0.00 0.00 178.00 178.53 9rub n ASP 281 N -4.32 0.00 -4.19 1.44 9.92 -1.26 -4.54 116.55 113.60 9rub n ASP 281 Ca -0.02 -0.63 -0.11 0.00 -0.53 0.00 0.00 54.79 53.50 9rub n ASP 281 Cb 0.24 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.62 9rub n ASP 281 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 9rub s ASN 282 N -1.95 1.26 0.04 -2.24 -0.87 -1.22 -5.01 114.94 104.96 9rub s ASN 282 Ca 0.25 -1.02 -0.30 0.00 -1.57 0.00 0.00 52.86 50.22 9rub s ASN 282 Cb 0.11 0.08 -0.08 0.00 -0.02 0.00 0.00 41.25 41.35 9rub s ASN 282 CO 0.19 -0.45 1.66 0.12 -2.57 0.00 0.00 177.10 176.05 9rub s PHE 283 N -3.57 2.30 -0.79 2.20 2.19 -1.26 -4.84 117.98 114.20 9rub s PHE 283 Ca 0.13 0.27 -0.19 0.00 0.33 0.00 0.00 56.93 57.48 9rub s PHE 283 Cb 0.05 -3.96 0.12 0.00 -1.31 0.00 0.00 43.02 37.92 9rub s PHE 283 CO -0.03 -3.90 0.96 -1.17 1.83 0.00 0.00 175.22 172.91 9rub s LEU 284 N 2.98 5.21 -0.31 6.12 0.20 -1.26 0.12 118.68 131.74 9rub s LEU 284 Ca 0.74 -1.79 -0.29 0.00 0.69 0.00 0.00 54.13 53.48 9rub s LEU 284 Cb -0.38 -2.36 0.00 0.00 -0.43 0.00 0.00 46.19 43.02 9rub s LEU 284 CO 0.32 -1.09 1.28 -2.28 -0.29 0.00 0.00 176.35 174.30 9rub s HIS 285 N 2.64 2.71 -0.54 5.38 5.65 0.30 -0.45 115.29 130.98 9rub s HIS 285 Ca 0.24 0.88 -0.16 0.00 0.25 0.00 0.00 55.06 56.28 9rub s HIS 285 Cb -0.12 -3.92 0.13 0.00 -1.18 0.00 0.00 32.58 27.48 9rub s HIS 285 CO -0.02 -1.63 0.49 -0.47 -0.65 0.00 0.00 174.74 172.45 9rub s TYR 286 N 4.36 3.25 -0.69 3.88 6.14 0.68 -3.06 117.35 131.91 9rub s TYR 286 Ca 0.55 -1.28 -0.22 0.00 0.64 0.00 0.00 57.07 56.77 9rub s TYR 286 Cb -0.16 -3.76 0.08 0.00 0.42 0.00 0.00 41.96 38.54 9rub s TYR 286 CO 0.23 -1.01 0.97 -1.58 0.64 0.00 0.00 175.55 174.80 9rub s HIS 287 N 1.60 2.76 0.00 4.97 5.65 -1.20 -3.39 115.29 125.68 9rub s HIS 287 Ca 0.03 -0.70 0.00 0.00 0.25 0.00 0.00 55.06 54.64 9rub s HIS 287 Cb -0.30 -4.27 0.00 0.00 -1.18 0.00 0.00 32.58 26.83 9rub s HIS 287 CO 0.03 -1.60 0.02 2.89 -0.65 0.00 0.00 174.74 175.43 9rub n ARG 288 N 7.44 0.00 -1.32 2.88 1.85 -1.26 -3.87 116.66 122.38 9rub n ARG 288 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.46 9rub n ARG 288 Cb 0.46 -1.37 0.03 0.00 -1.05 0.00 0.00 32.46 30.52 9rub n ARG 288 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 9rub n ALA 289 N 1.91 -2.32 -0.47 2.89 0.00 -1.24 -3.43 120.51 117.85 9rub n ALA 289 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 9rub n ALA 289 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 17.85 9rub n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9rub n GLY 290 N 2.19 0.00 0.52 0.00 0.00 -1.26 -4.36 105.19 102.29 9rub n GLY 290 Ca 0.09 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.46 9rub n GLY 290 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 9rub h HIS 291 N 0.00 0.18 -1.11 1.61 -0.00 -1.98 -1.97 115.15 111.87 9rub h HIS 291 Ca 0.00 0.01 0.35 0.00 -0.00 0.00 0.00 60.37 60.72 9rub h HIS 291 Cb 0.02 -0.05 -0.13 0.00 -0.00 0.00 0.00 27.41 27.25 9rub h HIS 291 CO 0.01 -0.01 0.68 0.78 -0.00 0.00 0.00 177.93 179.39 9rub h GLY 292 N 0.08 1.64 1.85 6.13 0.00 -1.88 -1.18 103.07 109.73 9rub h GLY 292 Ca 0.64 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.80 9rub h GLY 292 CO -0.10 -0.39 0.05 0.00 0.00 0.00 0.00 176.54 176.10 9rub h ALA 293 N 1.72 2.02 -0.69 3.60 0.00 -1.69 -2.69 119.26 121.54 9rub h ALA 293 Ca 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.64 9rub h ALA 293 Cb 1.93 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.72 9rub h ALA 293 CO -0.48 -0.09 0.00 1.33 0.00 0.00 0.00 179.25 180.01 9rub n VAL 294 N -4.45 0.00 -0.17 0.00 0.24 -0.51 -4.79 118.33 108.65 9rub n VAL 294 Ca -0.01 0.28 -0.05 0.00 -2.04 0.00 0.00 64.34 62.52 9rub n VAL 294 Cb 0.16 -1.24 0.02 0.00 -1.47 0.00 0.00 33.84 31.30 9rub n VAL 294 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 9rub h THR 295 N 0.00 0.26 -1.50 3.34 1.35 -1.39 -3.41 112.91 111.57 9rub h THR 295 Ca 0.00 0.00 -0.75 0.00 -0.55 0.00 0.00 66.41 65.11 9rub h THR 295 Cb 0.00 0.26 0.02 0.00 -1.73 0.00 0.00 68.15 66.70 9rub h THR 295 CO 0.00 0.00 0.85 -1.20 -0.25 0.00 0.00 175.52 174.92 9rub n SER 296 N -5.42 2.21 0.00 5.36 7.64 -1.01 -4.63 113.62 117.76 9rub n SER 296 Ca 0.04 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.01 9rub n SER 296 Cb 0.34 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 9rub n SER 296 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 9rub n PRO 297 N 5.05 0.00 0.05 1.43 -0.04 -1.26 -1.69 135.00 138.53 9rub n PRO 297 Ca 0.26 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 9rub n PRO 297 Cb 0.11 -1.07 0.17 0.00 -0.04 0.00 0.00 33.50 32.67 9rub n PRO 297 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 9rub n GLN 298 N -0.53 0.26 -3.66 0.54 3.00 -1.26 -4.74 117.38 110.98 9rub n GLN 298 Ca 0.00 0.07 -0.36 0.00 -0.01 0.00 0.00 57.00 56.70 9rub n GLN 298 Cb 0.00 -1.65 -0.08 0.00 0.00 0.00 0.00 30.24 28.51 9rub n GLN 298 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 9rub s SER 299 N -4.05 6.25 0.00 1.08 0.15 -0.68 -5.01 113.70 111.43 9rub s SER 299 Ca 0.06 0.28 0.17 0.00 0.70 0.00 0.00 55.95 57.16 9rub s SER 299 Cb 0.14 -2.12 0.34 0.00 -1.71 0.00 0.00 66.02 62.67 9rub s SER 299 CO 0.73 0.13 1.25 0.29 1.20 0.00 0.00 173.24 176.84 9rub n LYS 300 N 3.71 2.22 -5.04 5.44 5.02 -1.26 -4.88 118.16 123.37 9rub n LYS 300 Ca -0.15 -2.02 -0.30 0.00 -2.02 0.00 0.00 58.31 53.83 9rub n LYS 300 Cb 0.52 -1.39 -0.17 0.00 -0.02 0.00 0.00 35.03 33.97 9rub n LYS 300 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 9rub s ARG 301 N -1.20 2.57 0.00 1.97 3.52 -1.26 -3.66 118.95 120.89 9rub s ARG 301 Ca 0.30 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 9rub s ARG 301 Cb 0.17 -2.00 0.00 0.00 -1.56 0.00 0.00 34.95 31.56 9rub s ARG 301 CO 0.24 0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.30 9rub n GLY 302 N 3.51 0.36 3.47 8.12 0.00 -1.17 -4.72 105.19 114.76 9rub n GLY 302 Ca -0.20 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 9rub n GLY 302 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 9rub s TYR 303 N -1.68 1.88 0.54 1.61 -0.85 -1.26 -0.58 117.35 117.01 9rub s TYR 303 Ca 0.00 -1.06 0.06 0.00 -0.52 0.00 0.00 57.07 55.55 9rub s TYR 303 Cb 0.00 -1.23 0.04 0.00 0.38 0.00 0.00 41.96 41.15 9rub s TYR 303 CO 0.00 -0.09 0.46 0.95 -1.52 0.00 0.00 175.55 175.34 9rub s THR 304 N -3.29 1.80 0.39 -3.49 -4.23 -1.10 -3.33 115.64 102.39 9rub s THR 304 Ca 0.32 -1.41 0.13 0.00 -1.18 0.00 0.00 61.69 59.55 9rub s THR 304 Cb 0.07 -2.21 0.12 0.00 1.34 0.00 0.00 72.50 71.82 9rub s THR 304 CO 0.15 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.10 9rub h ALA 305 N 0.69 1.48 0.30 3.99 0.00 -1.93 -2.36 119.26 121.43 9rub h ALA 305 Ca -0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 9rub h ALA 305 Cb 1.30 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 9rub h ALA 305 CO 0.55 0.39 -0.17 0.35 0.00 0.00 0.00 179.25 180.37 9rub h PHE 306 N 0.00 -0.45 -0.13 0.00 3.57 -1.93 -2.64 116.94 115.35 9rub h PHE 306 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 9rub h PHE 306 Cb 0.56 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 9rub h PHE 306 CO 0.00 -0.28 -0.01 0.28 -2.23 0.00 0.00 178.31 176.08 9rub h VAL 307 N -0.45 0.90 -0.85 1.41 2.07 -1.77 -0.77 116.25 116.79 9rub h VAL 307 Ca -0.03 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 67.58 9rub h VAL 307 Cb 0.37 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 9rub h VAL 307 CO 0.04 0.01 0.55 -0.74 0.02 0.00 0.00 177.57 177.45 9rub h HIS 308 N 0.03 0.85 0.20 1.57 -0.00 -1.35 -2.17 115.15 114.29 9rub h HIS 308 Ca 0.06 0.02 -0.32 0.00 -0.00 0.00 0.00 60.37 60.13 9rub h HIS 308 Cb 0.08 -0.27 0.02 0.00 -0.00 0.00 0.00 27.41 27.24 9rub h HIS 308 CO -0.15 0.37 -1.48 0.00 -0.00 0.00 0.00 177.93 176.68 9rub h LYS 310 N 0.12 -0.50 0.00 0.00 1.63 -0.54 -2.86 116.57 114.42 9rub h LYS 310 Ca -0.24 0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.55 9rub h LYS 310 Cb 2.10 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 33.84 9rub h LYS 310 CO 0.23 -0.33 -0.20 0.00 -3.45 0.00 0.00 179.45 175.70 9rub h MET 311 N -0.53 0.00 0.00 1.90 -0.00 -1.60 -0.48 114.93 114.22 9rub h MET 311 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 9rub h MET 311 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.00 9rub h MET 311 CO 0.09 0.20 0.00 0.00 -0.00 0.00 0.00 176.91 177.20 9rub h ALA 312 N 1.80 1.00 0.06 -3.00 0.00 -1.44 -2.33 119.26 115.35 9rub h ALA 312 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 9rub h ALA 312 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 9rub h ALA 312 CO 0.03 0.00 -0.03 -0.09 0.00 0.00 0.00 179.25 179.16 9rub h ARG 313 N 0.00 -0.07 -0.64 0.00 2.43 -0.87 -1.11 114.38 114.13 9rub h ARG 313 Ca 0.00 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 9rub h ARG 313 Cb 0.30 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.76 9rub h ARG 313 CO 0.00 0.44 0.07 -0.07 -1.51 0.00 0.00 179.97 178.89 9rub h LEU 314 N -0.95 -0.15 -0.03 3.80 3.38 -1.35 -2.65 115.31 117.36 9rub h LEU 314 Ca -0.01 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 9rub h LEU 314 Cb 0.54 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 9rub h LEU 314 CO 0.01 -0.07 0.02 1.56 0.09 0.00 0.00 178.44 180.05 9rub h GLN 315 N 0.18 0.04 0.00 1.13 4.20 -1.55 0.03 115.11 119.13 9rub h GLN 315 Ca 0.34 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.04 9rub h GLN 315 Cb 0.55 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.32 9rub h GLN 315 CO -0.50 0.12 0.00 0.41 -0.67 0.00 0.00 178.83 178.19 9rub n GLY 316 N -0.86 0.02 3.77 3.46 0.00 -1.00 -4.03 105.19 106.56 9rub n GLY 316 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 9rub n GLY 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9rub s ALA 317 N -0.36 3.50 0.00 4.61 0.00 -0.44 -4.41 121.76 124.66 9rub s ALA 317 Ca 0.00 1.26 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 9rub s ALA 317 Cb 0.00 -3.48 -0.20 0.00 0.00 0.00 0.00 23.12 19.44 9rub s ALA 317 CO 0.00 -0.64 1.17 0.77 0.00 0.00 0.00 175.76 177.06 9rub h SER 318 N 3.48 0.39 -3.66 0.00 0.02 -0.99 -3.40 113.55 109.39 9rub h SER 318 Ca -0.49 -0.66 -0.06 0.00 -0.84 0.00 0.00 61.79 59.74 9rub h SER 318 Cb 1.23 -0.12 -0.23 0.00 0.14 0.00 0.00 62.40 63.42 9rub h SER 318 CO 0.66 0.99 -0.05 -0.83 -1.14 0.00 0.00 176.83 176.46 9rub s GLY 319 N -3.80 -0.47 0.10 -3.77 0.00 -1.11 -1.54 107.32 96.74 9rub s GLY 319 Ca -0.14 1.80 0.10 0.00 0.00 0.00 0.00 44.72 46.47 9rub s GLY 319 CO 0.77 1.66 -0.26 -1.50 0.00 0.00 0.00 173.10 173.78 9rub s ILE 320 N 0.73 2.31 -1.14 0.90 2.07 -0.64 -0.23 121.20 125.19 9rub s ILE 320 Ca -0.03 -1.60 -0.23 0.00 -1.41 0.00 0.00 60.65 57.38 9rub s ILE 320 Cb -0.05 -1.99 -0.10 0.00 0.13 0.00 0.00 42.46 40.46 9rub s ILE 320 CO -0.05 0.18 1.93 1.41 -1.91 0.00 0.00 174.94 176.50 9rub n HIS 321 N 1.19 2.62 -0.22 3.50 8.25 -1.22 -0.17 115.22 129.18 9rub n HIS 321 Ca -0.17 -1.49 0.19 0.00 -0.26 0.00 0.00 57.72 55.99 9rub n HIS 321 Cb 0.53 -2.52 0.53 0.00 1.12 0.00 0.00 29.99 29.64 9rub n HIS 321 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 9rub h THR 322 N 5.97 0.69 0.00 1.59 2.02 -1.80 -3.46 112.91 117.93 9rub h THR 322 Ca 0.24 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.29 9rub h THR 322 Cb 0.91 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 9rub h THR 322 CO 1.30 0.07 0.00 0.61 0.37 0.00 0.00 175.52 177.87 9rub n GLY 323 N -1.53 0.39 0.00 2.16 0.00 -1.25 -4.98 105.19 99.98 9rub n GLY 323 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.88 9rub n GLY 323 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 9rub n THR 324 N 0.00 0.00 -0.21 2.61 5.66 -1.26 -2.71 114.28 118.37 9rub n THR 324 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 9rub n THR 324 Cb 0.00 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.85 9rub n THR 324 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 9rub h MET 325 N 0.00 0.62 -3.85 1.09 -0.00 -1.93 -3.42 114.93 107.45 9rub h MET 325 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 9rub h MET 325 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 31.60 31.46 9rub h MET 325 CO 0.00 0.41 0.00 0.41 -0.00 0.00 0.00 176.91 177.73 9rub n GLY 326 N -1.27 0.00 0.00 -3.00 0.00 -1.26 -4.73 105.19 94.93 9rub n GLY 326 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 9rub n GLY 326 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 9rub n PHE 327 N -0.46 0.00 0.00 1.61 -0.00 -1.26 -5.15 117.46 112.20 9rub n PHE 327 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 9rub n PHE 327 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 9rub n PHE 327 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 9rub n GLY 328 N 2.35 3.04 7.00 7.13 0.00 -1.26 -5.16 105.19 118.29 9rub n GLY 328 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 9rub n GLY 328 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 9rub n LYS 329 N -0.36 0.00 -3.01 1.61 3.00 -1.26 -4.70 118.16 113.44 9rub n LYS 329 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.87 9rub n LYS 329 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 9rub n LYS 329 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 9rub s MET 330 N 0.00 3.12 1.46 1.64 1.75 -1.26 -5.03 119.30 120.99 9rub s MET 330 Ca 0.00 -0.93 -0.24 0.00 -1.25 0.00 0.00 55.69 53.28 9rub s MET 330 Cb 0.00 -4.19 0.38 0.00 2.84 0.00 0.00 34.83 33.86 9rub s MET 330 CO 0.00 -1.54 0.90 -1.21 -0.65 0.00 0.00 175.02 172.51 9rub s GLU 331 N 3.27 -3.27 0.00 4.11 0.41 -1.26 -4.86 118.70 117.10 9rub s GLU 331 Ca 0.18 0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.91 9rub s GLU 331 Cb -0.19 -1.33 0.00 0.00 -1.78 0.00 0.00 34.13 30.82 9rub s GLU 331 CO 0.10 -5.10 0.00 0.41 -0.49 0.00 0.00 175.26 170.18 9rub n GLY 332 N 1.80 1.27 0.34 -1.39 0.00 -1.26 -5.05 105.19 100.90 9rub n GLY 332 Ca 0.13 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.09 9rub n GLY 332 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 9rub n GLU 333 N 0.00 -0.11 -1.87 1.61 1.02 -1.26 -1.74 120.64 118.29 9rub n GLU 333 Ca 0.00 -0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.11 9rub n GLU 333 Cb 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 9rub n GLU 333 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 9rub n SER 334 N 0.07 -3.43 -4.78 1.62 2.88 -1.26 -5.07 113.62 103.65 9rub n SER 334 Ca 0.00 0.02 -0.41 0.00 -1.33 0.00 0.00 58.87 57.16 9rub n SER 334 Cb 0.00 -2.06 -0.00 0.00 -0.75 0.00 0.00 64.21 61.40 9rub n SER 334 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 9rub s SER 335 N -2.02 6.37 0.09 -3.46 0.15 -0.71 -4.96 113.70 109.17 9rub s SER 335 Ca 0.02 2.95 -0.06 0.00 0.70 0.00 0.00 55.95 59.56 9rub s SER 335 Cb -0.00 -2.66 -0.21 0.00 -1.71 0.00 0.00 66.02 61.44 9rub s SER 335 CO 0.18 -0.84 1.20 -0.78 1.20 0.00 0.00 173.24 174.20 9rub h ASP 336 N 2.98 0.53 0.31 5.45 1.82 -1.85 -3.25 116.42 122.41 9rub h ASP 336 Ca -0.50 -0.50 -0.02 0.00 -0.39 0.00 0.00 57.03 55.62 9rub h ASP 336 Cb 1.24 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.08 9rub h ASP 336 CO 0.64 1.34 -0.15 -0.09 -1.61 0.00 0.00 179.24 179.37 9rub h ARG 337 N 0.16 -0.40 -0.43 0.28 2.43 -1.93 -2.83 114.38 111.67 9rub h ARG 337 Ca -0.12 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.13 9rub h ARG 337 Cb 1.81 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 31.39 9rub h ARG 337 CO 0.19 -0.27 -0.20 0.00 -1.51 0.00 0.00 179.97 178.19 9rub n ALA 338 N -2.32 -0.13 0.43 2.80 0.00 -1.25 -0.93 120.51 119.10 9rub n ALA 338 Ca -0.05 0.41 -0.17 0.00 0.00 0.00 0.00 53.44 53.62 9rub n ALA 338 Cb 0.16 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 9rub n ALA 338 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 9rub h ILE 339 N 0.00 0.03 -0.94 0.00 2.04 -1.69 -1.26 117.51 115.70 9rub h ILE 339 Ca 0.12 -0.17 0.28 0.00 1.00 0.00 0.00 64.86 66.09 9rub h ILE 339 Cb 0.23 0.04 -0.16 0.00 -0.74 0.00 0.00 36.82 36.20 9rub h ILE 339 CO -0.42 0.00 0.30 0.00 0.00 0.00 0.00 178.15 178.03 9rub h ALA 340 N -1.24 1.50 -0.19 1.87 0.00 -0.77 0.71 119.26 121.15 9rub h ALA 340 Ca -0.11 0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 9rub h ALA 340 Cb 0.85 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 9rub h ALA 340 CO 0.19 -0.58 -0.26 1.88 0.00 0.00 0.00 179.25 180.48 9rub h TYR 341 N 0.16 0.63 -0.33 0.00 0.05 -1.29 -2.18 116.97 114.01 9rub h TYR 341 Ca 0.64 -0.21 -0.12 0.00 0.05 0.00 0.00 58.73 59.09 9rub h TYR 341 Cb 1.40 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 9rub h TYR 341 CO -0.23 0.90 -0.30 1.98 -1.05 0.00 0.00 178.16 179.46 9rub h MET 342 N 0.17 0.70 0.00 4.88 4.05 0.14 -3.04 114.93 121.84 9rub h MET 342 Ca 0.02 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 9rub h MET 342 Cb 0.83 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 9rub h MET 342 CO 0.06 0.91 0.00 -0.07 0.23 0.00 0.00 176.91 178.04 9rub h LEU 343 N 0.60 0.00 0.00 3.39 3.38 -0.14 -3.40 115.31 119.14 9rub h LEU 343 Ca 0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 9rub h LEU 343 Cb 0.81 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 9rub h LEU 343 CO 0.07 0.00 -1.70 0.35 0.09 0.00 0.00 178.44 177.24 9rub n THR 344 N -2.63 0.71 -2.53 0.22 -2.24 -0.83 -1.94 114.28 105.03 9rub n THR 344 Ca 0.03 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 9rub n THR 344 Cb 0.36 -1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 67.56 9rub n THR 344 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 9rub s GLN 345 N -2.25 4.42 0.00 -0.78 0.74 -1.15 -4.82 119.66 115.83 9rub s GLN 345 Ca -0.17 1.61 0.01 0.00 0.05 0.00 0.00 55.36 56.86 9rub s GLN 345 Cb 0.04 -3.48 0.08 0.00 1.10 0.00 0.00 33.01 30.75 9rub s GLN 345 CO 0.28 -0.30 0.64 -3.47 -0.55 0.00 0.00 175.29 171.89 9rub n ASP 346 N 4.60 0.00 -2.67 6.67 -0.08 -1.26 -3.97 116.55 119.84 9rub n ASP 346 Ca 0.09 -1.11 -0.04 0.00 -1.51 0.00 0.00 54.79 52.22 9rub n ASP 346 Cb 0.48 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.04 9rub n ASP 346 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 9rub n GLU 347 N -0.54 0.29 -2.08 -0.67 4.07 -1.26 -3.59 120.64 116.87 9rub n GLU 347 Ca 0.01 -0.91 -0.28 0.00 -0.06 0.00 0.00 57.16 55.92 9rub n GLU 347 Cb 0.00 -0.31 0.17 0.00 -0.06 0.00 0.00 31.44 31.24 9rub n GLU 347 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 9rub s ALA 348 N 0.09 2.58 -0.08 4.31 0.00 -1.06 -4.86 121.76 122.74 9rub s ALA 348 Ca 0.21 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.86 9rub s ALA 348 Cb 0.29 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.83 9rub s ALA 348 CO -0.17 -2.21 -0.10 -1.14 0.00 0.00 0.00 175.76 172.15 9rub s GLN 349 N -5.72 1.50 0.54 0.00 2.00 -1.26 -2.72 119.66 114.00 9rub s GLN 349 Ca 0.72 -0.31 0.08 0.00 -2.00 0.00 0.00 55.36 53.85 9rub s GLN 349 Cb -0.04 -1.36 0.06 0.00 0.80 0.00 0.00 33.01 32.46 9rub s GLN 349 CO 0.51 -0.08 0.65 0.20 -0.50 0.00 0.00 175.29 176.07 9rub s GLY 350 N 1.01 1.93 0.00 2.59 0.00 0.77 -4.86 107.32 108.76 9rub s GLY 350 Ca -0.08 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.76 9rub s GLY 350 CO -0.00 -1.72 0.32 -1.55 0.00 0.00 0.00 173.10 170.15 9rub n PRO 351 N -2.03 0.00 0.00 2.90 -0.04 -1.26 -3.69 135.00 130.87 9rub n PRO 351 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 9rub n PRO 351 Cb 0.62 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 9rub n PRO 351 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 9rub n PHE 352 N -0.80 -1.82 -4.20 0.54 3.72 -1.26 -5.07 117.46 108.57 9rub n PHE 352 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 9rub n PHE 352 Cb 0.00 0.42 -0.06 0.00 -0.94 0.00 0.00 39.48 38.89 9rub n PHE 352 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 9rub s TYR 353 N -1.84 2.77 0.04 1.38 2.02 -1.24 -5.10 117.35 115.38 9rub s TYR 353 Ca 0.00 -0.25 0.09 0.00 -0.37 0.00 0.00 57.07 56.53 9rub s TYR 353 Cb 0.00 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 9rub s TYR 353 CO 0.00 0.51 -0.25 0.50 -1.57 0.00 0.00 175.55 174.74 9rub s ARG 354 N -3.76 1.70 -0.06 -0.62 3.00 -1.26 -0.16 118.95 117.79 9rub s ARG 354 Ca 0.34 -1.05 -0.04 0.00 -1.00 0.00 0.00 55.73 53.98 9rub s ARG 354 Cb -0.05 -1.85 0.03 0.00 0.00 0.00 0.00 34.95 33.07 9rub s ARG 354 CO 0.22 0.48 0.15 -1.14 0.00 0.00 0.00 175.30 175.00 9rub s GLN 355 N -1.19 0.13 -0.75 5.12 2.00 -1.10 -4.94 119.66 118.93 9rub s GLN 355 Ca 0.11 0.30 -0.01 0.00 -2.00 0.00 0.00 55.36 53.76 9rub s GLN 355 Cb -0.10 -0.07 0.38 0.00 0.80 0.00 0.00 33.01 34.03 9rub s GLN 355 CO 0.02 -0.10 1.91 0.43 -0.50 0.00 0.00 175.29 177.04 9rub n SER 356 N 3.70 7.20 0.00 6.67 7.64 -1.26 -2.57 113.62 135.00 9rub n SER 356 Ca -0.21 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 55.86 9rub n SER 356 Cb 0.55 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 9rub n SER 356 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 9rub n TRP 357 N -0.62 0.00 -1.24 1.43 7.02 -1.24 -4.62 117.44 118.17 9rub n TRP 357 Ca 0.54 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 57.00 9rub n TRP 357 Cb 0.39 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.28 9rub n TRP 357 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 9rub n GLY 358 N 0.00 -0.07 0.00 6.99 0.00 -1.26 -1.87 105.19 108.97 9rub n GLY 358 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 9rub n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9rub n GLY 359 N -0.27 1.78 0.00 -0.02 0.00 -1.26 -5.09 105.19 100.33 9rub n GLY 359 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 9rub n GLY 359 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 9rub n MET 360 N -1.13 0.00 0.00 1.61 0.00 -0.78 -5.09 117.12 111.73 9rub n MET 360 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 9rub n MET 360 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 9rub n MET 360 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 9rub n LYS 361 N 0.00 0.00 -3.98 2.12 4.81 -1.26 -5.00 118.16 114.84 9rub n LYS 361 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 9rub n LYS 361 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 9rub n LYS 361 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 9rub s ALA 362 N -1.00 0.11 -0.19 3.14 0.00 -1.26 -4.91 121.76 117.65 9rub s ALA 362 Ca 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 9rub s ALA 362 Cb 0.00 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.99 9rub s ALA 362 CO 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 175.76 174.98 9rub s THR 364 N 1.32 3.46 0.36 0.00 2.01 -0.59 -4.40 115.64 117.80 9rub s THR 364 Ca 0.05 1.19 -0.28 0.00 0.31 0.00 0.00 61.69 62.95 9rub s THR 364 Cb -0.14 -3.76 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 9rub s THR 364 CO -0.09 0.17 1.38 -2.84 -0.69 0.00 0.00 174.62 172.55 9rub s PRO 365 N 0.01 4.22 -0.41 4.92 0.02 -1.26 -1.63 135.00 140.88 9rub s PRO 365 Ca 0.56 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.97 9rub s PRO 365 Cb -0.34 -3.01 0.11 0.00 0.02 0.00 0.00 34.50 31.29 9rub s PRO 365 CO 0.36 -0.35 0.14 0.42 -0.33 0.00 0.00 177.00 177.23 9rub s ILE 366 N -1.14 2.49 0.45 2.83 1.01 0.76 -3.47 121.20 124.13 9rub s ILE 366 Ca 0.51 -2.65 -0.21 0.00 0.00 0.00 0.00 60.65 58.30 9rub s ILE 366 Cb -0.42 -2.79 -0.09 0.00 0.01 0.00 0.00 42.46 39.17 9rub s ILE 366 CO 0.57 -0.68 1.01 -0.63 0.00 0.00 0.00 174.94 175.22 9rub s ILE 367 N 0.52 3.95 -0.18 2.92 -1.09 -0.91 -2.41 121.20 124.00 9rub s ILE 367 Ca 0.13 1.28 -0.14 0.00 -2.23 0.00 0.00 60.65 59.69 9rub s ILE 367 Cb -0.21 -3.56 0.05 0.00 -1.58 0.00 0.00 42.46 37.16 9rub s ILE 367 CO -0.05 -0.19 0.47 -0.94 -1.23 0.00 0.00 174.94 173.00 9rub s SER 368 N -1.93 -0.54 0.00 3.58 1.04 -1.10 -3.21 113.70 111.54 9rub s SER 368 Ca 0.63 0.98 0.00 0.00 0.48 0.00 0.00 55.95 58.05 9rub s SER 368 Cb -0.16 0.94 0.00 0.00 0.10 0.00 0.00 66.02 66.90 9rub s SER 368 CO 0.20 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.85 9rub n GLY 369 N 3.46 -0.21 0.00 7.32 0.00 -1.18 -4.55 105.19 110.03 9rub n GLY 369 Ca -0.17 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 9rub n GLY 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9rub n GLY 370 N 0.00 3.79 2.94 -0.02 0.00 -1.26 -3.41 105.19 107.23 9rub n GLY 370 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 9rub n GLY 370 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 9rub s MET 371 N -4.81 1.40 0.74 1.61 -1.94 -1.26 -4.71 119.30 110.33 9rub s MET 371 Ca 0.00 -1.86 -0.09 0.00 -1.71 0.00 0.00 55.69 52.03 9rub s MET 371 Cb 0.00 -2.94 0.14 0.00 2.01 0.00 0.00 34.83 34.04 9rub s MET 371 CO 0.00 -0.99 0.32 0.27 -0.01 0.00 0.00 175.02 174.61 9rub n ASN 372 N 4.14 -2.56 0.00 3.03 0.23 -1.26 -3.69 115.26 115.14 9rub n ASN 372 Ca 0.03 -0.32 0.00 0.00 -0.53 0.00 0.00 54.58 53.76 9rub n ASN 372 Cb 0.40 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 9rub n ASN 372 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 9rub n ALA 373 N -3.67 0.00 0.10 -2.53 0.00 -1.26 -1.85 120.51 111.30 9rub n ALA 373 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 9rub n ALA 373 Cb 0.22 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.74 9rub n ALA 373 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 9rub h LEU 374 N 0.00 0.13 0.08 0.00 -0.00 -1.88 -3.34 115.31 110.30 9rub h LEU 374 Ca 0.00 -0.09 -0.28 0.00 -0.00 0.00 0.00 57.88 57.51 9rub h LEU 374 Cb 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.61 9rub h LEU 374 CO 0.00 0.82 -1.39 0.03 -0.00 0.00 0.00 178.44 177.90 9rub h ARG 375 N 0.07 0.16 -0.86 1.13 2.47 -1.61 -3.42 114.38 112.32 9rub h ARG 375 Ca -0.02 -0.28 0.10 0.00 -1.26 0.00 0.00 59.98 58.53 9rub h ARG 375 Cb 1.30 0.10 -0.12 0.00 -1.65 0.00 0.00 29.97 29.61 9rub h ARG 375 CO 0.10 1.02 -0.44 -0.12 0.56 0.00 0.00 179.97 181.09 9rub n MET 376 N -3.39 -0.31 0.00 0.04 1.56 -1.11 -1.49 117.12 112.42 9rub n MET 376 Ca -0.12 1.31 0.03 0.00 -0.27 0.00 0.00 57.70 58.65 9rub n MET 376 Cb 1.02 -1.93 0.14 0.00 2.15 0.00 0.00 33.22 34.59 9rub n MET 376 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 9rub n PRO 377 N -5.15 0.06 0.00 2.12 -0.02 -1.26 0.77 135.00 131.52 9rub n PRO 377 Ca 0.04 0.28 0.09 0.00 -2.02 0.00 0.00 63.50 61.90 9rub n PRO 377 Cb 0.27 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.18 9rub n PRO 377 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 9rub n GLY 378 N -0.84 -0.48 0.06 -1.23 0.00 -0.56 -3.60 105.19 98.54 9rub n GLY 378 Ca 0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 9rub n GLY 378 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 9rub h PHE 379 N 0.86 0.00 0.00 1.61 3.57 0.39 -3.34 116.94 120.03 9rub h PHE 379 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 9rub h PHE 379 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 9rub h PHE 379 CO 0.00 0.00 0.52 0.74 -2.23 0.00 0.00 178.31 177.34 9rub h PHE 380 N -0.90 0.00 0.15 0.41 0.04 -1.42 -1.36 116.94 113.86 9rub h PHE 380 Ca 0.00 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.42 9rub h PHE 380 Cb 0.29 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 9rub h PHE 380 CO -0.12 0.00 -1.85 1.49 -0.60 0.00 0.00 178.31 177.23 9rub h GLU 381 N 0.00 0.32 0.00 1.51 4.57 -1.72 -2.38 114.58 116.88 9rub h GLU 381 Ca 0.00 -0.54 -0.06 0.00 -1.18 0.00 0.00 59.36 57.58 9rub h GLU 381 Cb 1.03 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 9rub h GLU 381 CO 0.00 1.23 -0.30 -0.91 -1.18 0.00 0.00 179.01 177.85 9rub h ASN 382 N 0.09 0.00 0.00 1.04 2.35 -1.38 -3.35 115.58 114.33 9rub h ASN 382 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 9rub h ASN 382 Cb 2.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.43 9rub h ASN 382 CO 0.14 0.30 0.00 -0.11 -1.65 0.00 0.00 177.43 176.11 9rub n LEU 383 N -3.19 0.08 0.00 1.61 0.00 -0.93 -5.02 117.00 109.55 9rub n LEU 383 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.04 9rub n LEU 383 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.06 9rub n LEU 383 CO 0.38 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.38 9rub n GLY 384 N 2.98 -0.12 0.00 -3.96 0.00 -0.91 -5.07 105.19 98.11 9rub n GLY 384 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 9rub n GLY 384 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 9rub n ASN 385 N 0.00 0.00 -0.45 1.61 6.94 -1.14 -5.04 115.26 117.18 9rub n ASN 385 Ca 0.00 -0.89 0.00 0.00 -0.02 0.00 0.00 54.58 53.67 9rub n ASN 385 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 9rub n ASN 385 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 9rub n ALA 386 N -3.00 1.91 -2.82 -2.53 0.00 -1.26 -4.46 120.51 108.35 9rub n ALA 386 Ca 0.00 -0.49 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 9rub n ALA 386 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 9rub n ALA 386 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 9rub s ASN 387 N -0.47 6.92 0.00 0.00 0.01 -1.26 -1.15 114.94 119.00 9rub s ASN 387 Ca 0.00 -2.64 0.00 0.00 -0.71 0.00 0.00 52.86 49.51 9rub s ASN 387 Cb 0.00 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.20 9rub s ASN 387 CO 0.00 -0.95 0.00 1.33 -1.51 0.00 0.00 177.10 175.97 9rub n VAL 388 N 5.35 0.00 -4.17 1.60 0.24 -1.26 -4.65 118.33 115.44 9rub n VAL 388 Ca 0.38 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.53 9rub n VAL 388 Cb 0.45 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.68 9rub n VAL 388 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 9rub s ILE 389 N -2.45 0.55 -0.12 1.34 1.01 -1.23 -3.08 121.20 117.22 9rub s ILE 389 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.12 9rub s ILE 389 Cb 0.00 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.96 9rub s ILE 389 CO 0.00 -0.03 -0.20 -0.22 0.00 0.00 0.00 174.94 174.49 9rub s LEU 390 N -0.65 1.99 -0.16 2.97 2.96 0.38 -2.14 118.68 124.03 9rub s LEU 390 Ca -0.01 -0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 53.36 9rub s LEU 390 Cb -0.05 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 45.33 9rub s LEU 390 CO 0.00 0.08 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.08 9rub s THR 391 N 0.71 2.65 0.09 3.68 2.01 -1.20 0.38 115.64 123.95 9rub s THR 391 Ca -0.11 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 9rub s THR 391 Cb -0.16 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 9rub s THR 391 CO 0.02 0.51 0.04 0.00 -0.69 0.00 0.00 174.62 174.49 9rub s ALA 392 N 0.95 0.51 -0.30 7.40 0.00 0.40 -3.08 121.76 127.64 9rub s ALA 392 Ca -0.03 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 9rub s ALA 392 Cb -0.15 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 9rub s ALA 392 CO -0.02 -0.44 0.19 0.20 0.00 0.00 0.00 175.76 175.70 9rub s GLY 393 N -2.96 1.92 0.00 0.00 0.00 -1.22 -3.97 107.32 101.09 9rub s GLY 393 Ca 0.13 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.63 9rub s GLY 393 CO -0.06 0.69 0.21 0.61 0.00 0.00 0.00 173.10 174.54 9rub n GLY 394 N 5.06 0.39 0.06 0.20 0.00 -1.26 -2.07 105.19 107.58 9rub n GLY 394 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 9rub n GLY 394 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9rub n GLY 395 N 2.20 -0.17 0.13 -0.02 0.00 -1.26 -3.53 105.19 102.54 9rub n GLY 395 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.96 9rub n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9rub h ALA 396 N -0.00 0.66 -0.69 4.61 0.00 -1.67 -3.27 119.26 118.90 9rub h ALA 396 Ca -0.27 -0.52 -0.46 0.00 0.00 0.00 0.00 54.91 53.66 9rub h ALA 396 Cb 1.41 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.88 9rub h ALA 396 CO -0.04 0.68 -0.15 1.19 0.00 0.00 0.00 179.25 180.93 9rub n PHE 397 N -3.17 2.34 -2.79 0.00 3.72 -1.26 -4.31 117.46 112.00 9rub n PHE 397 Ca 0.00 -2.23 -0.43 0.00 -0.05 0.00 0.00 57.45 54.74 9rub n PHE 397 Cb 0.75 -0.68 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 9rub n PHE 397 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 9rub s GLY 398 N -2.80 1.46 -0.16 1.37 0.00 -1.23 -4.04 107.32 101.93 9rub s GLY 398 Ca 0.53 -0.71 -0.09 0.00 0.00 0.00 0.00 44.72 44.45 9rub s GLY 398 CO 0.01 2.08 0.39 -1.58 0.00 0.00 0.00 173.10 174.01 9rub s HIS 399 N 3.81 -0.57 0.31 1.90 5.04 -1.26 -4.85 115.29 119.67 9rub s HIS 399 Ca 0.39 1.23 0.16 0.00 -1.54 0.00 0.00 55.06 55.29 9rub s HIS 399 Cb -0.10 0.24 1.08 0.00 0.04 0.00 0.00 32.58 33.84 9rub s HIS 399 CO 0.26 -0.33 1.36 0.44 -2.34 0.00 0.00 174.74 174.13 9rub n ILE 400 N 4.23 -0.36 1.73 0.89 -5.35 -1.26 0.17 119.36 119.40 9rub n ILE 400 Ca -0.23 1.77 0.15 0.00 -0.27 0.00 0.00 62.75 64.17 9rub n ILE 400 Cb 0.55 -2.83 0.78 0.00 -1.74 0.00 0.00 39.64 36.41 9rub n ILE 400 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 9rub n ASP 401 N -4.99 0.37 0.00 7.28 9.92 -1.26 -5.06 116.55 122.81 9rub n ASP 401 Ca 0.31 -0.91 0.00 0.00 -0.53 0.00 0.00 54.79 53.66 9rub n ASP 401 Cb 1.04 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 41.47 9rub n ASP 401 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 9rub n GLY 402 N 1.12 -0.27 0.10 0.44 0.00 0.45 -4.56 105.19 102.47 9rub n GLY 402 Ca 0.20 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.71 9rub n GLY 402 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 9rub n PRO 403 N 0.30 0.00 -0.02 1.61 -0.02 -1.26 -0.62 135.00 134.99 9rub n PRO 403 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 9rub n PRO 403 Cb 0.00 -0.98 -0.14 0.00 -0.02 0.00 0.00 33.50 32.36 9rub n PRO 403 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 9rub n VAL 404 N -0.25 1.66 0.39 -1.45 0.31 -1.26 -3.70 118.33 114.03 9rub n VAL 404 Ca 0.00 -0.74 0.12 0.00 -0.01 0.00 0.00 64.34 63.71 9rub n VAL 404 Cb 0.00 -1.29 0.12 0.00 -0.91 0.00 0.00 33.84 31.77 9rub n VAL 404 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 9rub h ALA 405 N 0.62 0.60 -0.08 3.52 0.00 -1.11 -3.32 119.26 119.48 9rub h ALA 405 Ca -0.36 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 9rub h ALA 405 Cb 2.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 9rub h ALA 405 CO 0.07 0.00 -0.04 0.78 0.00 0.00 0.00 179.25 180.06 9rub h GLY 406 N 4.30 0.19 2.00 0.00 0.00 -1.63 0.61 103.07 108.54 9rub h GLY 406 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 9rub h GLY 406 CO 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 176.54 176.60 9rub h ALA 407 N 0.63 1.02 0.05 3.60 0.00 -1.72 0.20 119.26 123.05 9rub h ALA 407 Ca 0.02 -0.08 -0.36 0.00 0.00 0.00 0.00 54.91 54.49 9rub h ALA 407 Cb 0.49 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 9rub h ALA 407 CO 0.01 0.11 -2.10 0.54 0.00 0.00 0.00 179.25 177.82 9rub n ARG 408 N -3.23 0.70 0.46 0.00 1.74 -1.20 -2.55 116.66 112.59 9rub n ARG 408 Ca 0.00 0.21 -0.20 0.00 -0.77 0.00 0.00 57.85 57.10 9rub n ARG 408 Cb 0.35 -1.66 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 9rub n ARG 408 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 9rub h SER 409 N 0.03 -1.18 0.23 0.55 4.64 0.89 0.34 113.55 119.06 9rub h SER 409 Ca -0.45 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 9rub h SER 409 Cb 2.02 0.33 -0.01 0.00 -0.31 0.00 0.00 62.40 64.44 9rub h SER 409 CO 0.04 -0.77 -0.18 0.17 -0.87 0.00 0.00 176.83 175.22 9rub h LEU 410 N -1.24 0.00 -0.79 5.97 8.10 -0.82 0.11 115.31 126.64 9rub h LEU 410 Ca -0.12 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.80 9rub h LEU 410 Cb 0.98 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.17 9rub h LEU 410 CO 0.15 0.18 0.10 -0.09 -4.11 0.00 0.00 178.44 174.67 9rub h ARG 411 N 0.00 1.02 0.43 0.17 2.43 -1.17 -2.76 114.38 114.50 9rub h ARG 411 Ca -0.00 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 9rub h ARG 411 Cb 0.34 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 9rub h ARG 411 CO 0.02 0.94 -0.21 1.96 -1.51 0.00 0.00 179.97 181.17 9rub h GLN 412 N 0.96 -0.56 -0.78 0.20 4.20 0.11 -0.87 115.11 118.37 9rub h GLN 412 Ca 0.19 0.04 0.23 0.00 0.06 0.00 0.00 58.65 59.17 9rub h GLN 412 Cb 0.41 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 9rub h GLN 412 CO 0.01 -0.29 0.65 0.00 -0.67 0.00 0.00 178.83 178.53 9rub h ALA 413 N -0.26 2.64 0.00 3.87 0.00 -0.55 -1.47 119.26 123.49 9rub h ALA 413 Ca -0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 9rub h ALA 413 Cb 0.53 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 9rub h ALA 413 CO 0.10 -1.05 -0.55 2.35 0.00 0.00 0.00 179.25 180.10 9rub h TRP 414 N 0.00 0.00 -0.86 0.00 7.01 -1.48 -3.13 115.95 117.49 9rub h TRP 414 Ca 0.37 0.00 0.22 0.00 2.11 0.00 0.00 58.89 61.59 9rub h TRP 414 Cb 1.66 0.00 -0.15 0.00 -2.10 0.00 0.00 29.16 28.57 9rub h TRP 414 CO 0.00 0.86 0.09 1.96 -2.79 0.00 0.00 178.44 178.55 9rub h GLN 415 N -1.00 0.11 -0.48 2.65 4.20 -0.16 -0.97 115.11 119.45 9rub h GLN 415 Ca -0.13 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.66 9rub h GLN 415 Cb 0.88 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.53 9rub h GLN 415 CO -0.08 0.07 -0.34 0.00 -0.67 0.00 0.00 178.83 177.81 9rub h ALA 416 N 1.81 -0.16 0.40 3.87 0.00 -1.46 -2.71 119.26 121.01 9rub h ALA 416 Ca 0.51 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 9rub h ALA 416 Cb 0.99 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 9rub h ALA 416 CO -0.73 -0.73 -0.29 2.35 0.00 0.00 0.00 179.25 179.85 9rub h TRP 417 N -0.22 -0.77 0.00 0.00 7.01 -1.13 0.51 115.95 121.34 9rub h TRP 417 Ca 0.19 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.19 9rub h TRP 417 Cb 0.55 0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.89 9rub h TRP 417 CO -0.59 -0.43 0.00 -2.13 -2.79 0.00 0.00 178.44 172.49 9rub n ARG 418 N -5.42 0.00 -0.27 2.65 0.63 -0.93 -2.58 116.66 110.75 9rub n ARG 418 Ca -0.10 0.55 0.12 0.00 -0.92 0.00 0.00 57.85 57.50 9rub n ARG 418 Cb 0.32 -1.16 0.39 0.00 0.45 0.00 0.00 32.46 32.46 9rub n ARG 418 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 9rub h ASP 419 N 0.00 0.64 -2.71 6.15 3.32 -1.61 -3.48 116.42 118.73 9rub h ASP 419 Ca 0.00 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 9rub h ASP 419 Cb 0.00 -0.08 0.05 0.00 0.22 0.00 0.00 39.33 39.51 9rub h ASP 419 CO 0.00 0.32 -0.22 0.61 -1.72 0.00 0.00 179.24 178.23 9rub n GLY 420 N -1.44 0.39 2.25 2.75 0.00 0.16 -5.06 105.19 104.25 9rub n GLY 420 Ca 0.18 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 9rub n GLY 420 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 9rub n VAL 421 N -2.76 3.44 -1.51 1.61 0.24 -1.17 -5.00 118.33 113.17 9rub n VAL 421 Ca -0.03 -2.72 0.00 0.00 -2.04 0.00 0.00 64.34 59.55 9rub n VAL 421 Cb 0.53 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 31.95 9rub n VAL 421 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 9rub n PRO 422 N -0.98 -0.13 -0.28 7.34 -0.02 -1.26 -4.22 135.00 135.44 9rub n PRO 422 Ca 0.60 0.09 0.02 0.00 -2.02 0.00 0.00 63.50 62.19 9rub n PRO 422 Cb 0.96 -0.59 0.06 0.00 -0.02 0.00 0.00 33.50 33.91 9rub n PRO 422 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 9rub n VAL 423 N 0.92 -0.37 -0.35 -1.45 0.31 -1.26 -2.30 118.33 113.83 9rub n VAL 423 Ca 0.00 1.77 0.13 0.00 -0.01 0.00 0.00 64.34 66.23 9rub n VAL 423 Cb 0.00 -2.38 0.33 0.00 -0.91 0.00 0.00 33.84 30.87 9rub n VAL 423 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 9rub h LEU 424 N 0.00 0.75 -0.42 7.52 8.10 -1.96 -2.15 115.31 127.16 9rub h LEU 424 Ca 0.31 0.10 0.00 0.00 0.11 0.00 0.00 57.88 58.40 9rub h LEU 424 Cb 0.50 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 9rub h LEU 424 CO -0.77 0.24 0.00 0.44 -4.11 0.00 0.00 178.44 174.24 9rub h ASP 425 N 0.73 0.00 0.27 0.17 5.19 -1.63 -2.84 116.42 118.30 9rub h ASP 425 Ca 0.59 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.66 9rub h ASP 425 Cb 0.95 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.47 9rub h ASP 425 CO -0.40 0.00 -1.65 0.22 -3.12 0.00 0.00 179.24 174.29 9rub h TYR 426 N 0.00 0.72 0.00 4.55 3.20 -1.49 -3.34 116.97 120.61 9rub h TYR 426 Ca 0.00 -0.52 -0.04 0.00 3.14 0.00 0.00 58.73 61.30 9rub h TYR 426 Cb 0.63 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 9rub h TYR 426 CO 0.00 1.59 -0.20 0.00 -1.64 0.00 0.00 178.16 177.91 9rub h ALA 427 N 0.21 1.33 0.30 1.82 0.00 -1.20 1.53 119.26 123.24 9rub h ALA 427 Ca -0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 9rub h ALA 427 Cb 2.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.86 9rub h ALA 427 CO 0.20 0.25 -0.14 0.00 0.00 0.00 0.00 179.25 179.55 9rub h ARG 428 N 0.00 -0.39 -0.82 0.00 3.08 -1.70 -3.28 114.38 111.28 9rub h ARG 428 Ca -0.00 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 9rub h ARG 428 Cb 0.46 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 9rub h ARG 428 CO 0.03 -0.11 0.40 0.93 -1.07 0.00 0.00 179.97 180.14 9rub h GLU 429 N -0.65 1.18 -4.97 0.04 5.08 -1.54 -3.41 114.58 110.30 9rub h GLU 429 Ca -0.04 -0.17 -0.67 0.00 -1.00 0.00 0.00 59.36 57.48 9rub h GLU 429 Cb 0.46 -0.21 -0.35 0.00 0.50 0.00 0.00 28.75 29.15 9rub h GLU 429 CO 0.07 0.90 -0.82 -1.01 -1.00 0.00 0.00 179.01 177.15 9rub s HIS 430 N -5.72 2.98 0.18 4.33 3.76 0.52 -5.07 115.29 116.27 9rub s HIS 430 Ca -0.13 -1.82 -0.14 0.00 -0.15 0.00 0.00 55.06 52.83 9rub s HIS 430 Cb 0.16 -1.95 0.15 0.00 1.11 0.00 0.00 32.58 32.05 9rub s HIS 430 CO 0.83 -0.81 1.74 0.87 -0.85 0.00 0.00 174.74 176.52 9rub h LYS 431 N 7.91 0.29 0.00 1.40 1.57 -1.81 -2.68 116.57 123.25 9rub h LYS 431 Ca -0.35 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 9rub h LYS 431 Cb 1.10 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.35 9rub h LYS 431 CO 0.57 0.19 0.00 1.05 -0.57 0.00 0.00 179.45 180.70 9rub h GLU 432 N 0.30 0.00 0.16 3.15 9.09 -1.91 1.46 114.58 126.83 9rub h GLU 432 Ca 0.22 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.32 9rub h GLU 432 Cb 0.25 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.35 9rub h GLU 432 CO -0.25 0.00 -1.58 -0.07 0.05 0.00 0.00 179.01 177.16 9rub h LEU 433 N 0.00 0.52 0.41 3.06 3.38 -1.82 0.26 115.31 121.12 9rub h LEU 433 Ca 0.00 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.04 9rub h LEU 433 Cb 0.31 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.90 9rub h LEU 433 CO 0.00 1.71 -0.20 0.00 0.09 0.00 0.00 178.44 180.04 9rub h ALA 434 N 0.04 -0.55 0.00 1.53 0.00 -0.79 -1.86 119.26 117.64 9rub h ALA 434 Ca -0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 9rub h ALA 434 Cb 1.94 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.94 9rub h ALA 434 CO 0.13 -0.74 -0.06 0.00 0.00 0.00 0.00 179.25 178.57 9rub h ARG 435 N -0.68 0.00 0.00 0.00 -0.00 0.18 -1.61 114.38 112.28 9rub h ARG 435 Ca -0.06 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.37 9rub h ARG 435 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.45 9rub h ARG 435 CO 0.09 0.06 -0.25 0.00 0.00 0.00 0.00 179.97 179.88 9rub h ALA 436 N 1.94 1.30 0.05 0.04 0.00 0.07 -1.08 119.26 121.57 9rub h ALA 436 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 9rub h ALA 436 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 9rub h ALA 436 CO 0.01 0.31 -0.02 0.74 0.00 0.00 0.00 179.25 180.29 9rub h PHE 437 N 0.00 -0.06 -0.84 0.00 0.04 -0.50 -3.11 116.94 112.47 9rub h PHE 437 Ca -0.00 -0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.93 9rub h PHE 437 Cb 0.54 0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.61 9rub h PHE 437 CO 0.00 0.55 0.39 1.49 -0.60 0.00 0.00 178.31 180.14 9rub h GLU 438 N -0.90 0.49 -0.29 1.51 4.57 -1.18 0.12 114.58 118.90 9rub h GLU 438 Ca -0.01 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 9rub h GLU 438 Cb 0.64 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 9rub h GLU 438 CO 0.01 0.32 0.08 0.66 -1.18 0.00 0.00 179.01 178.90 9rub h SER 439 N 0.51 0.37 -2.26 1.04 4.64 -1.30 -3.33 113.55 113.22 9rub h SER 439 Ca 0.48 -0.04 -0.61 0.00 -0.47 0.00 0.00 61.79 61.15 9rub h SER 439 Cb 0.77 -0.09 -0.41 0.00 -0.31 0.00 0.00 62.40 62.36 9rub h SER 439 CO -0.43 0.37 -0.51 0.49 -0.87 0.00 0.00 176.83 175.89 9rub n PHE 440 N -4.39 3.71 0.21 4.77 3.72 0.41 -4.88 117.46 121.01 9rub n PHE 440 Ca 0.01 -4.00 0.14 0.00 -0.05 0.00 0.00 57.45 53.55 9rub n PHE 440 Cb 0.16 -0.58 0.76 0.00 -0.94 0.00 0.00 39.48 38.87 9rub n PHE 440 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 9rub h PRO 441 N 3.85 0.00 0.00 -1.08 0.11 -1.65 0.52 132.00 133.74 9rub h PRO 441 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 9rub h PRO 441 Cb 0.60 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 9rub h PRO 441 CO 0.86 0.00 -0.04 0.78 -0.21 0.00 0.00 178.00 179.39 9rub h GLY 442 N 0.00 0.00 0.00 -0.55 0.00 -1.90 -3.34 103.07 97.29 9rub h GLY 442 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 9rub h GLY 442 CO -0.00 0.00 -0.21 1.22 0.00 0.00 0.00 176.54 177.55 9rub n ASP 443 N -3.87 0.66 -3.99 0.19 8.00 -1.01 -4.73 116.55 111.80 9rub n ASP 443 Ca -0.03 0.15 -0.35 0.00 0.71 0.00 0.00 54.79 55.28 9rub n ASP 443 Cb 0.13 -0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.00 9rub n ASP 443 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 9rub n ALA 444 N -3.35 1.78 0.00 2.24 0.00 0.18 0.80 120.51 122.16 9rub n ALA 444 Ca 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.54 9rub n ALA 444 Cb 0.11 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 15.98 9rub n ALA 444 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 9rub n ASP 445 N 11.72 0.00 0.11 0.00 -0.08 -1.26 -4.47 116.55 122.58 9rub n ASP 445 Ca 0.46 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.62 9rub n ASP 445 Cb 0.43 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.82 9rub n ASP 445 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 9rub h GLN 446 N 0.00 -0.57 0.00 -0.67 -0.00 -0.72 -2.32 115.11 110.82 9rub h GLN 446 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.68 9rub h GLN 446 Cb 0.00 0.13 -0.00 0.00 -0.00 0.00 0.00 27.48 27.61 9rub h GLN 446 CO 0.00 -0.38 -0.06 0.97 -0.00 0.00 0.00 178.83 179.36 9rub h ILE 447 N -0.60 0.21 -2.18 1.86 -0.00 0.07 -3.34 117.51 113.54 9rub h ILE 447 Ca -0.01 -0.49 -0.58 0.00 -0.00 0.00 0.00 64.86 63.78 9rub h ILE 447 Cb 0.58 1.40 -0.39 0.00 -0.00 0.00 0.00 36.82 38.40 9rub h ILE 447 CO -0.18 0.06 -0.98 -1.22 -0.00 0.00 0.00 178.15 175.83 9rub n TYR 448 N -3.26 0.20 0.00 2.19 4.01 -1.08 -5.01 117.16 114.21 9rub n TYR 448 Ca -0.01 -3.61 0.00 0.00 -0.16 0.00 0.00 57.90 54.12 9rub n TYR 448 Cb 0.26 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 9rub n TYR 448 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 9rub n PRO 449 N 1.74 0.00 0.00 -0.72 -0.02 -0.90 -3.74 135.00 131.36 9rub n PRO 449 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 9rub n PRO 449 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 9rub n PRO 449 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 9rub n GLY 450 N 0.00 0.28 0.00 -1.23 0.00 -1.26 -4.70 105.19 98.28 9rub n GLY 450 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 9rub n GLY 450 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 9rub n TRP 451 N -0.26 0.00 0.00 1.61 4.27 -1.25 -3.09 117.44 118.73 9rub n TRP 451 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 9rub n TRP 451 Cb 0.34 -0.18 0.00 0.00 -1.36 0.00 0.00 31.31 30.12 9rub n TRP 451 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 9rub n ARG 452 N -2.14 0.00 -0.25 -2.67 5.12 -1.26 0.17 116.66 115.63 9rub n ARG 452 Ca 0.00 0.76 -0.08 0.00 -1.93 0.00 0.00 57.85 56.60 9rub n ARG 452 Cb 0.00 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 29.79 9rub n ARG 452 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 9rub h LYS 453 N 0.00 -0.18 0.00 5.56 3.11 -1.88 -2.45 116.57 120.74 9rub h LYS 453 Ca 0.00 0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.74 9rub h LYS 453 Cb 0.00 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 9rub h LYS 453 CO 0.00 -0.12 -0.52 0.00 -2.81 0.00 0.00 179.45 176.00 9rub h ALA 454 N 0.69 0.75 -2.11 5.00 0.00 -1.74 -3.48 119.26 118.36 9rub h ALA 454 Ca 0.19 -0.48 -0.45 0.00 0.00 0.00 0.00 54.91 54.17 9rub h ALA 454 Cb 0.55 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.12 9rub h ALA 454 CO -0.75 0.66 -0.66 -1.17 0.00 0.00 0.00 179.25 177.33 9rub s LEU 455 N -6.72 2.35 0.00 0.00 2.96 0.44 -4.95 118.68 112.75 9rub s LEU 455 Ca 0.02 -1.23 0.00 0.00 -0.22 0.00 0.00 54.13 52.70 9rub s LEU 455 Cb 0.09 -0.48 0.00 0.00 0.50 0.00 0.00 46.19 46.30 9rub s LEU 455 CO 0.73 -0.44 0.00 0.61 -1.32 0.00 0.00 176.35 175.93 9rub n GLY 456 N -0.55 -0.02 0.00 7.98 0.00 -1.26 -4.47 105.19 106.88 9rub n GLY 456 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 9rub n GLY 456 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 9rub n VAL 457 N -0.37 0.00 -4.23 1.61 0.31 -1.26 -5.02 118.33 109.37 9rub n VAL 457 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 9rub n VAL 457 Cb 0.02 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.86 9rub n VAL 457 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 9rub s GLU 458 N 0.00 2.93 0.00 5.55 2.12 -1.26 -4.88 118.70 123.17 9rub s GLU 458 Ca 0.00 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.82 9rub s GLU 458 Cb 0.00 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.62 9rub s GLU 458 CO 0.00 0.65 0.00 -3.47 -0.54 0.00 0.00 175.26 171.90 9rub n ASP 459 N 1.51 0.00 0.00 -1.70 -0.08 -1.26 -5.26 116.55 109.76 9rub n ASP 459 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 9rub n ASP 459 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 9rub n ASP 459 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67